Curriculum Vitæ of Dmitri S. Kilin, updated August 3, 2015

Transcription

1 Dmitri S. Kilin Department of Chemistry and Biochemistry North Dakota State University Fargo, ND (701) GOALS & PHILOSOPHY merge teaching and research: teach students the skills for immediate practical benefit in research organize synergistic effort for interdisciplinary research on energy materials secure successful career path for graduates from my research group Theory quantum dissipative dynamics computational spectroscopy ab initio exciton dynamics transport & photocurrent RESEARCH INTERESTS Materials semiconductor and metallic surfaces and thin films photovoltaic and light-harvesting nanomaterials porphyrins & nanoparticles for molecular electronics and photo-dynamic therapy EDUCATION 2000 Doctor Rerum Naturalium (equivalent to Ph.D.) in Theoretical Physics Chemnitz University of Technology, Department of Natural Science, Chemnitz, Germany 1996 Diploma (compares to Master of Science) Belarus State University, Department of Physics, Minsk, Belarus 1994 B.S. Belarus State University, Department of Physics, Minsk, Belarus SUMMARY OF EXPERIENCE Research: Theory Development for Nonadiabatic Spectral Dynamics of Photo-Excited States; Quantum Relaxation; Ultrafast Spectroscopy; Photocurrent and Charge/Energy transfer at surfaces Teaching & Mentoring in: Chemistry and Physics at undergraduate and graduate levels Scientific Computing & Administration: UNIX, LaTeX, MATLAB, Matematica, Fortran programming and debugging, Electronic structure (VASP, Gaussian, Mopack, Hyperchem) 1

2 RESEARCH EXPERIENCE 2015-present Assistant Professor, North Dakota State University, Fargo, ND Assistant Professor, University of South Dakota, Vermillion, SD computational spectroscopy of lanthanides in solid matrices and complexes Research Assistant Professor, University of South Dakota, Vermillion, SD computational photocatalysis development of non-adiabatic quantum dynamics software based on density matrix formalism excitons in semiconductor nano-materials: thin films, nano-wires, quantum dots, and arrays charge transfer at nanostructured interfaces of liquids, semiconductors, metals, and dielectrics Postdoctoral Researcher, University of Florida, Quantum Theory Project, Gainesville, FL adviser: Prof. David A. Micha, (352) , ab initio simulations of photovoltage at nanostructured interfaces of silicon development of quantum dynamics theory based on density matrix formalism ab initio calculations of photo-activated transport in metallic nanowire Postdoctoral Researcher, University of Washington, Department of Chemistry, Seattle, WA adviser: Prof. Oleg V. Prezhdo, (206) , theory of electron-phonon dynamics in photosynthetic molecular aggregates ab initio modeling of selective growth of silver nanoparticle surfaces ab initio dynamics of energy transfer and charge relaxation in porphyrins & quantum dots Postdoctoral Researcher, University of Oregon, Department of Chemistry, Eugene, OR adviser: Prof. Jeffrey A. Cina, (541) , theory of time-resolved nonlinear optical interferometry of light harvesting aggregates Graduate Research Assistant, Chemnitz University of Technology, Chemnitz, Germany adviser: Prof. Michael Schreiber, +49 (0371) developing reduced density matrix method for spin-boson models simulation of charge transfer in porphyrin complexes Undergraduate Research Assistant, Belarus State University, Physics Department, Minsk, Belarus adviser: Prof. George G. Krylov simulations of electron transport in quantum wires by Green s functions method PROFESSIONAL SOCIETIES MEMBERSHIP ACS American Chemical Society APS American Physical Society DPG German Physical Society SPIE International Society for Optical Engineering 2

3 SERVICE & SYNERGISTIC ACTIVITIES REVIEWING FOR SCIENTIFIC JOURNALS ACS Other J. Phys. Chem. A J. Phys. Chem. C J. Phys. Chem. Lett. J. Am. Chem. Soc. J. Comput. Theor. Chem. J. Chem. Phys. Molecular Physics Chem. Phys. Lett. Phys. Chem. Chem. Phys. Advances in Physical Chemistry EDITORIAL SERVICE 2015 Editor of ACS Book Photoinduced Processes at Surfaces and in Nanomaterials ( working title Surface Chemistry for Photocatalysis ), 11 chapters. PROPOSAL EVALUATION FOR FEDERAL AGENCIES 2015 National Science Foundation, MSN Physical Properties of Nanomaterials Panel P151259: reviewer of 7 proposals and panelist National Science Foundation, GRFP panel P150364: reviewer of 35 proposals and panelist ACS PRF, proposal reviewer 2014 DOE, Office of Basic Energy Sciences (BES) Early Career Research Program National Science Foundation, CHE Division, ad hoc reviewer 2012 Department of Energy, Basic Energy Science, Inter-Agency Materials Genome Initiative Panel Condensed Phase and Interfacial Molecular Sciences Panel Computational and Theoretical Chemistry Panel GeoBio U.S. Department of Energy Office of Science Graduate Fellowship program (DOE SCGF) SESSION CHAIRING & DISCUSSION LEADING 2014 ACS in Denver, PHYS Division Symposium, Session chair Introductory and Concluding Remarks, 246th ACS National Meeting, COMP Symposium on Photocatalysis Session Chair, IEEE ELECTRO-INFORMATION TECHNOLOGY CONFERENCE Symposium Advanced Renewable Energy Materials and Applications, Rapid City, SD 2013 Session Chair, 53rd Sanibel Symposium, St. Simon Island, GA 2012 Session Chair, 243rd ACS National Meeting, ENFL Symposium Solar Energy Conversion and Utilization for Fuels and Energy Production, San-Diego, CA 2012 Session Chair, Energy and Sustainability Conference, NDSU, Fargo, ND 2011 Introductory and Concluding Remarks, 242nd ACS National Meeting, COMP Symposium on Photocatalysis. 3

4 SYNERGISTIC ACTIVITIES 2015 co-organizer of PACIFICHEM Symposium Photocatalysis and Charge Transfer at Interfaces and Nanomaterials Honolulu, HI, December 2015 (5 sessions, 24 invited, 15 contributed, 25 poster presentations) 2015 co-organizer of Telluride Science Research Center Workshop Nanomaterials: Theory and Computation Telluride, CO, July 2014 (30 speakers) 2014 co-organizer of Telluride Science Research Center Workshop Nanomaterials: Theory and Computation Telluride, CO, July co-organizer of 8 Symposia at American Chemical Society meeting Indianapolis, IN, September 2013: Surface Chemistry for Photocatalysis, Charge Transfer Triggers Surface Reactions, Interface Charge Transfer and Dye-Sensitized Solar Cells, Nanostructures for Photovoltaics, Computational Photocatalysis, Organic Semiconductors and Biosystems, Plasmonic Materials and Nano-Interfaces, Single-Site Transition Metal Photo-Catalysis 2013 co-organizer of of the workshop at Telluride Science Research Center Photoexcited Process in Systems with d- and f-metals: When Non-Adiabatic Coupling is Equally Important to Spin-Orbit Coupling, Telluride, CO, June co-organizer of American Chemical Society Symposium Computational modeling of photocatalysis Denver, CO, August 2011 (50 speakers) OUTREACH ACTIVITIES 2015 South Dakota Science Olympiad for High School (Judge) 2014 Presentation at Science Cafe, Green Fuel from Water and Sunlight, Fargo, ND ( South Dakota Science Olympiad for High School (Judge) 2012 ACS 243rd Natl Meeting Presentations on Demand Dissipative carrier dynamics for photocatalysis ( ) 2011 South Dakota Science Olympiad for High School (Judge) 2011 ACS 242nd Natl Meeting Soft-conference: Effect of RuO2 catalyst on dissipative electron dynamics in titanium dioxide ( ) YouTube educational clips: (total 12,873 views) Water splitting molecular dynamics (3,118 views) 4

5 Computational Chemistry CHEM792/CHEM429, public video recording of student s presentations Adv. Phys. Chem. CHEM744, student s clips on wave packet evolution COMMITTEE SERVICE 2015 USD Committee on computational network infrastructure USD Chemistry Degree Committee Ph.D. (5) Hugo Yao, Yulun Han, Jeff Mottishaw, Choumini Balathasiran, John Suter M.S. (1) Jon Vogel USD Chemistry Degree Committee Ph.D. (1) JiangChao Chen M.S. (8) Shivatharsini Rasalingam, Rui Peng, Sabrina Gong, Nga Nguen, Choumini Balathasiran, Hugo Yao, Stephanie Jensen, Yuchi Zhang EXTRAMURAL FUNDING EFFORT EXTERNAL GRANTS: FUNDED NSF CHE, ID: , awarded $588, (co-pi) Theoretical Insights into Chemical Functionalization of Carbon Nanotubes: from Chirality Separation to Photoexcited Dynamics NSF CHE, ID: , awarded $265, (co-pi) REU Site: Weak chemical bonds yield strong research experiences in Materials Chemistry at the University of South Dakota EXTERNAL GRANTS: PENDING DOE Computational Materials Sciences, tracking number: GRANT , requested $9,878, (PI) Computation-Assisted minimization of heat loss in photoactive nanomaterials: case study of lead trihalide perovskites FACILITY GRANTS ($0) 2012 DOE, BES Chemical Sciences, and NERSC Contract No. DE-AC02-05CH11231, allocation Award #85213: Computational Modeling of Photo-catalysis and Photo-induced Charge Transfer Dynamics on Surfaces (supported with 375,000 hrs) 5

6 2013 DOE, BES Chemical Sciences, and NERSC Contract No. DE-AC02-05CH11231, Energy Research Computing Allocation Award #86185: Computational Modeling of Photo-catalysis and Photo-induced Charge Transfer Dynamics on Surfaces (supported with 400,000 hrs) 2014 DOE, BES Chemical Sciences, and NERSC Contract No. DE-AC02-05CH11231, Energy Research Computing Allocation Award #86898: Computational Modeling of Photo-catalysis and Photo-induced Charge Transfer Dynamics on Surfaces (supported with 600,000 hrs) 2015 DOE, BES Chemical Sciences, and NERSC Contract No. DE-AC02-05CH11231, Energy Research Computing Allocation Award #88777: Computational Modeling of Photo-catalysis and Photo-induced Charge Transfer Dynamics on Surfaces (supported with 1,200,000 hrs) TEACHING EXPERIENCE 2010-present Instructor University of South Dakota, Vermillion, SD Computational Chemistry for graduate students, CHEM792 (2011, 2013) Computational Chemistry for undergraduate students, CHEM429/529 (2014) Advanced Physical Chemistry for graduate students, CHEM744 (2011, 2012, 2014) Chemistry Seminar Series for graduate students, CHEM790 (2012, 2013,2014) Physical Chemistry Lab Section, CHEM442L (2015) Freshmen Chemistry Lab Section, CHEM114 (2012) Organic and Biochem Survey Lab, CHEM107 (2013) 2004 Substitute Instructor in Chemistry for Prof. Prezhdo University of Washington, Seattle, WA Advanced Quantum Mechanics for graduate students, CHEM551 Undergraduate honors, Quantum-Mechanical Foundations of Spectroscopy, CHEM Teaching Assistant in Chemistry, University of Washington, Seattle, Washington General Chemistry, CHEM 152, CHEM Instructor at the Summer School for Participants of the National Physics and Math Olympics of Republic of Belarus, Vitebsk, Belarus; 1995 Physics Teacher, High School # 124, Minsk, Belarus; MENTORING EXPERIENCE mentoring postdocs, graduate, and undergraduate students at the University of South Dakota: Dr. Shuping Huang (postdoc), 3 posters, 5 papers published, 1 paper in prep. Dr. Ivan Mikhaylov (postdoc), 2 talks, 2 posters, 1 published, 1 in prep. Jon Vogel (grad. st., chemistry) 2 posters, 2 published, 1 submitted, 1 in prep. Stephanie Jensen (grad. st., chemistry) 2 Best Poster Awards at Sanibel Symposium 2013, 2015, 1 talk, 4 posters, 3 published, 1 submitted. Yuchi Zhang (grad. st., chemistry) 2 posters, 2 papers published (graduated with MS 2014). Ge Yao (grad. st., chemistry, co-advising with Dr. Berry and Dr. May) 1 talk, 3 posters, 3 papers published, 1 submitted, 3 in prep, IBM-Lowdin award at Sanibel Symposium 2015 (Ph. D. 6

7 graduated 2015) Yulun Han (grad. st., chemistry, co-advising with Dr. Berry and Dr. May) 3 posters, 2 papers published, 1 submitted (Ph. D. graduated 2015) Jiangchao Chen (grad st., chemistry, co-advising with Dr. Berry and Dr. May), Best Poster Award at Sanibel Symposium, 1 talk, 3 posters, 4 papers published, (Ph. D. graduated 2014, now postdoc at UF). Jefferey Motishaw (grad. st., chemistry, co-mentoring rotation project with Dr. Qi Hua Fan and Dr. Haoran Sun) 1 award, 2 posters, 2 papers published Andrew Schmitz (Physics, undergraduate) Best Poster Award at Sanibel Symposium, 1 talk, 1 poster, 3 published, 1 in prep. Wendi Sapp (Chemistry, undergraduate, co-mentoring with Dr. Rick Wang) 2 awards, 1 poster, 1 paper accepted Adam Erck (Chemistry, undergraduate) 1 awards, 1 poster, 1 paper accepted, Dell-Intell award at Sanibel Symposium 2015 Mariah Hoffman (Chemistry, graduate, co-mentoring with Dr. Andrew Sykes) 1 poster, 1 paper submitted (M.S. graduated 2015) Khaled Rashwan (Chemistry, graduate, co-mentoring with Dr. Grogoriy Sereda) 1 poster, 1 paper submitted co-advising with Prof. Micha undergraduate students: Michael Mavros (Chemistry, University of Florida) Travis LaJoe (Chemistry, University of Florida) Jessica Ramirez (Chemistry, University of Florida) David Arlund (Physics & Astronomy, University of Florida) co-advising with Prof. Micha students: Andrew Leathers, (Chemistry, University of Florida, graduate) Chris Obara, (Physics, University of Florida, undergraduate) 2002 co-advising with Prof. Cina graduate student: Travis Humble (Chemistry, University of Oregon) PRESENTATIONS UNIVERSITY SEMINARS AND INVITED CONFERENCE TALKS 2015 Telluride Summer School in Theoretical Chemistry, Telluride, CO Southeastern Theoretical Chemistry Association (SETCA-2015), Orlando, FL EMN Photovoltaics, Orlando, FL 2014 QTP 54th Sanibel Symposium, St. Simon Island, Georgia, Telluride Summer School in Theoretical Chemistry, Telluride, CO Department of Physics Seminar, North Dakota State University, Fargo, ND 7

8 2013 ACS 245th National Meeting, New Orlean, LA IEEE International Conference on Electro/Information Technology, Rapid City, South Dakota Telluride Summer School in Theoretical Chemistry, Telluride, CO Department of Chemistry Seminar, North Dakota State University, Fargo, ND 2012 QTP 52nd Sanibel Symposium, St. Simon Island, Georgia, Telluride Summer School in Theoretical Chemistry, Telluride, CO T1-group Los Alamos National Lab Seminar, Los Alamos, New Mexico ACS 244th National Meeting, Philadelphia, PA 2 talks Materials Design, 2012 Users Group Meeting, San Francisco, CA Quantum Theory Project seminar, Department of Chemistry, University of Florida, Gainesville, Florida 2011 Department of Physics and Astrophysics Seminar, University of North Dakota, Grand Forks, ND, Department of Physics Seminar, University of Wyoming, Laramie, WY Department of Chemistry Seminar, University of South Dakota, Vermillion, SD T1-group Los Alamos National Lab Seminar, Los Alamos, New Mexico ACS 242nd national meeting, Denver, CO Telluride Summer School in Theoretical Chemistry, Telluride, CO, Effect of RuO 2 catalyst on dissipative electron dynamics in titanium dioxide 2010 Department of Mathematics Seminar, University of South Dakota, Vermillion, SD, Department of Chemistry Seminar, University of South Dakota, Vermillion, SD, Computational modeling of physical and chemical properties of nanostructured silicon surfaces for electronics and photovoltaics Quantum Theory Project Sesquicentennial, Celebrating 80th of F. Harris and 70th of D. Micha and their scientific achievements, University of Florida, Gainesville, Florida, Electron Transfer at nano-structured semiconductor surfaces. International Society for Optical Engineering Symposium, Physical Chemistry of Interfaces and Nanomaterials VIII San Diego, California, Electron dynamics and photovoltages at semiconductor surfaces. ACS Florida Regional Meeting and Exposition, Orlando, Florida, Metallic nanoparticles for nano-electronics and photovoltaics Nanoscience Technology Center seminar, University of Cental Florida, Orlando, Florida, Ab initio studies of photo-induced transport phenomena in nanoclusters. ACS Florida Regional Meeting and Exposition, Orlando, Florida, Theory of photoinduced charge transfer and photovoltage on Silicon adsorbates. 8

9 Quantum Theory Project seminar, University of Florida, Gainesville, Florida, Photovoltage for Adsorbates on Silicon Surface National Workshop on Non-adiabatic Dynamics, Telluride, Colorado, Application of Spin- Boson Model to Phonon-Induced Carrier Relaxation in CdSe and PbSe Quantum Dots st Northwest Regional Meeting of American Chemical Society, Reno, Nevada, Photoexcitation Dynamics in Dye-Sensitized Semiconductors, Carbon Nanotubes and Quantum Dots. Department of Chemistry Photonics Seminar, hosted by Professor Alwin Kwiram, University of Washington, Seattle, Washington, Exciton transfer in organic-semiconductor nanostructures Condensed Matter Seminar, University of Washington, Seattle, Washington, Photoinduced Vibrational Coherence Transfer in Nano-Aggregates. Seminar hosted by T. Van Voorhis group, MIT, Boston, Massachussetts, Density Functional Simulations of Surface Ligation and Exciton Transfer in CdSe Quantum Dots National Workshop on Non-adiabatic Dynamics, Telluride, Colorado, Coherence Transfer in Dimers and Dynamics of Dye-to-Semiconductor Electron Injection Department of Chemistry Nonlinar Optics Seminar, University of Oregon, Eugene, Oregon, Multidimensional Optical Spectroscopy in Time Domain. Seminar hosted by O. Prezhdo group, University of Washington, Seattle, Washington, Analysis of Interferograms with Shift Operator Technique. Oregon Center for Optics seminar, University of Oregon, Eugene, Oregon, Nonlinear Wavepacket Interferometry for Energy-Transfer Dimer Seminar hosted by R. Van Grondelle Group, Vrije Universiteit Amsterdam, Amsterdam, The Netherlands, Electronic Energy Transfer in J-aggregates: Vibrational Control and Nonlinear Optical Detection Institute of Physics seminar, hosted by Prof. V. May Group, Humboldt Universität zu Berlin, Germany, Phase-Sensitive Relaxation in Molecular Systems. CONTRIBUTED TALKS AND POSTERS 2015 PACIFICHEM 2015 in Honolulu, HI, 2 talks and 3 posters MRS Natl. Meeting in San-Francisco, CA, 2 talks: J12.07, U th ACS Natl. Meeting in Denver, CO co-author of 1 talk and 3 posters QTP 55th Sanibel Symposium, St. Simon Island, Georgia, co-author of 6 posters, 62nd Pacific Conference on Spectroscopy and Dynamics, Asilomar, CA, co-author of 1 poster. 9

10 th ACS Natl. Meeting in San Francisco, CA co-author of 1 talk and 4 posters: ENFL-623, ENFL-419, ENFL-420, ENFL-421, ENFL-422, ENFL-423 Gordon Research Conference, Lucca, Italy, May 4-9, co-author of 2 posters 247th ACS Natl. Meeting in Dallas, TX co-author of 3 talks: PHYS-468, PHYS-193, PHYS-128 QTP 54th Sanibel Symposium, St. Simon Island, Georgia, co-author of 6 posters, Excited States Processes, Santa Fe, New Mexico, 2 posters nd ACS Natl. Meeting in Indianapolis, IN, co-author of 4 talks and 1 poster: COMP-290, COMP-209, COMP-182, COMP- 122, COMP nd ACS Natl. Meeting in Philadelphia, PA, co-author of 10 talks and 5 posters: ENFL- 488, ENFL-490, ENFL-434, ENFL-571, ENFL-608, ENFL-638, COMP-14, COMP-16, COMP-17, COMP-92, COMP-336, COMP-340, COMP-417, PHYS-452, PHYS-529 Nanoporous Materials Genome Center Meeting, Nov , Minneapolis, MN SD EPSCoR RII All Investigator Meeting, June 4-7, Chamberlain, SD, co-author of 3 posters 243rd ACS Natl. Meeting in San Diego, CA, 2 talks: FUEL-180, FUEL-458 QTP 52nd Sanibel Symposium, St. Simon Island, Georgia, co-author of 5 posters nd ACS Natl. Meeting in Denver, CO, co-author of 5 talks Optical Probes & Excited States Properties, Santa Fe, NM, 1 poster 241st ACS Natl. Meeting in Annaheim, CA, 3 talks QTP 51st Sanibel Symposium, St. Simon Island, Georgia, 2 posters 2010 American Physical Society March Meeting, Portland, Oregon, 1 talk QTP 50th Sanibel Symposium, St. Simon Island, Georgia, 3 posters th American Chemical Society National Meeting, Washington, DC, 3 talks Energy for XXIst Century, Organized by Department of Energy, Santa Fe, New Mexico, 2 posters 237th American Chemical Society National Meeting, Salt Lake City, Utah, 2 talks 2009 QTP 49th Sanibel Symposium, St. Simon Island, Georgia, 3 posters 2008 International Conference on Multiscale Materials Modeling, Talahassee, Florida, 1 talk 235th American Chemical Society National Meeting, New Orleans, Louisiana, 3 talks QTP 48th Sanibel Symposium, St. Simon Island, Georgia, 1 poster 2007 Excited State Processes in Electronic and Bio-Nanomaterials, Santa Fe, New Mexico, 2 posters 234th National Meeting of American Chemical Society, Boston, Massachussetts, 1 poster 10

11 27th Annua Conference of Center for Non-Linear Studies, Santa Fe, New Mexico, 1 poster QTP 47th Sanibel Symposium, St. Simon Island, Georgia, 1 poster nd National Meeting of American Chemical Society, San Francisco, California, 1 talk Center for Non-Linear Studies conference on Carbon Nanotubes, Santa Fe, New Mexico, 1 talk 61st Northwest Regional Meeting of American Chemical Society, Reno, Nevada, 1 talk 53rd Western Spectroscopic Association Conference, Asilomar, California, 1 talk, Selected into 7 best contributed presentations by conference organizers th American Chemical Society National Meeting, Washington, DC, 2 posters Excited State Processes in Electronic and Bio-Nanomaterials, Santa Fe, New Mexico, 1 poster American Conference on Theoretical Chemistry, Los Angeles, California, 1 poster American Physical Society March Meeting, Los-Angeles, California, 1 poster, 1 talk th Western Spectroscopy Association Conference, Asilomar, California, 1 poster 2003 Excited States Processes in Bio- and Nanomaterials, Los Alamos, New Mexico, 1 talk American Physical Society Northwest Regional Section Meeting, Portland, Oregon, 1 talk American Physical Society March Meeting, Austin, Texas, 1 poster 50th Western Spectroscopy Association Conference, Asilomar, California, 1 poster th International Conference on Ultrafast Phenomena, Vancouver, BC, Canada, 1 talk Max Plank Institute Workshop, Quantum Dynamical Concept: Biomolecules, Dresden, Germany, 1 poster American Physical Society March Meeting, Indianapolis, Indiana, 1 talk From Diatomics to 49th Western Spectroscopy Association Conference, Asilomar, California, 1 poster 2001 International Conference on Coherent and Nonlinear Optics, sponsored by Optical Society of America, Minsk, Belarus, 2 talks American Chemical Society Northwest Section Regional Meeting, Seattle, Washington, 1 talk Max Plank Institute Workshop: Coherent Evolution in Noisy Environment, Dresden, Germany, 1 poster, Awarded with Travel Fellowship American Physical Society March Meeting, Seattle, Washington, 1 talk, Awarded Best Talk in Chemical Physics 48th Western Spectroscopy Association Conference, Asilomar, California, 1 poster 2000 Seminar on Mathematical Models in Biology, Chemistry, and Physics, Bad Lausick, Germany, 1 poster, Awarded travel fellowship by organizing committee 11

12 th Symposium fur theoretische Chemie, Freiberg, Germany, 1 poster 12th International Conference on Dynamic Processes in Excited States of Solids, Puerto Rico, 1 talk Annual Meeting of German Physical Society, Muenster, Germany, 2 posters International Conference on Excitonic Processes in Condensed Matter, Boston, Massachussetts, 1 talk Annual Meeting of German Physical Society, Bayreuth, Germany, 1 poster 1998 German Research Society (DFG) Colloquium, Wuerzburg, Germany, 1 poster A. von Humboldt Seminar: Localization and Electronic States in Low-Dimensional Condensed Matter Systems, Kurort Gohrisch, Germany, 1 poster th International Conference on Dynamic Processes in Excited States of Solids, Mittelberg, Austria, 1 poster Annual Meeting of German Physical Society, Muenster, Germany, 1 poster th National Student Conference in Condensed Matter Physics, Grodno, Belarus, 2 talks PUBLICATIONS (h-index = 16, by Web-of-Science, h=17, by Google Scholar ) independent papers with DK being corresponding author Papers in preparation [1] I. A. Mikhailov, D. S. Kilin, Photoinduced dynamics of charge in semiconductor quantum dots, in preparation, (2015). [2] A. Kutana, D. S. Kilin Density matrix theory study of the dynamics of excited carriers in doped silicon nanocrystals and nanowires, in preparation, (2015). [3] S. Tretiak, D. Kilin, Anisotropy of optical excitations in silicon nanowires, in preparation, (2015). [4] S. Huang, C. Balathiran, J. Hoefelmeyer, D. Kilin, Dynamics of optical excitations in wet TiO2 nanowires, in preparation for NanoLetters, (2015). Papers under review [5] Stephanie J. Jensen, Dmitri S. Kilin, Cobalt doped TiO2: A computational analysis of dopant placement and charge direction on thin film anatase, Mol. Phys. (2015) revision is in review, Manuscript ID: TMPH R1. [6] Khaled Mahran Rashwan, Grigoriy A. Sereda, Dmitri S. Kilin, Adsorption Patterns of Caffeic Acid on Titania: Affinity, Charge Transfer and Sunscreen Applications, Mol. Phys. (2015) in review, Manuscript ID: TMPH [7] Mariah Hoffman, Andrew Sykes, Dmitri Kilin, Effect of oxidation state and coordination with Hg(II) on the electronic spectra of an anthraquinone-rhodamine sensor, Mol. Phys. (2015) in review, Manuscript ID: TMPH

13 Papers in refereed journals [8] Andrei B. Kryjevski, Dmitri S. Kilin, Enhanced Multiple Exciton Generation in Amorphous Silicon Nanowires and Films, Mol. Phys. (2015) accepted, Manuscript ID: TMPH [9] Wendi Sapp, Adam Erck, Zhenqiang Wang, Dmitri S. Kilin, Electronic and spectral properties of a metal-organic super container molecule by single point DFT Mol. Phys. (2015) accepted, Manuscript ID: TMPH [10] Svetlana Kilina, Dmitri Kilin, Sergei Tretiak, Light-driven and phonon-assisted dynamics in organic and semiconductor nanostructure, Chemical Reviews, (2015) 115 (12), pp , DOI: /acs.chemrev.5b (IF=45.661) [11] Stephanie J. Jensen and Dmitri S. Kilin, Electronic properties of nickel-doped TiO2 anatase J. Phys. Cond. Matt., (2015) 27, (DOI: / /27/13/134207) (IF=2.355, cited 2 times) [12] Tijo Vazhappilly, Dmitri S. Kilin, and David A. Micha, Modeling the Surface Photovoltage of Silicon Slabs with Varying Thickness, J. Phys. Cond. Matt., (2015) 27, (DOI: / /27/13/134204) (IF=2.355, cited 3 times) [13] Ge Yao, Qingguo Meng, Mary T. Berry, P. Stanley May, Dmitri Kilin, Molecular dynamics in finding nonadiabatic coupling for β- NaYF4: Ce(3+) nanocrystals, Mol. Phys. (2015) vol. 113, iss. 3-4, pp (DOI: / ) (IF=1.642, cited 2 times) [14] Qingguo Meng, Mary T. Berry, P. Stanley May, Dmitri Kilin, Time-resolved Electronic and optical properties of a thiolate protected Au 38 nanocluster, Mol. Phys. (2015) vol. 113, iss. 3-4, pp (DOI: / ) (IF=1.642) [15] Dayton Jon Vogel and Dmitri S. Kilin, Electron dynamics of solvated Titanium Hydroxide, Mol. Phys. (2015) vol. 113, iss. 3-4, pp (DOI: / ) (IF=1.642) [16] Yulun Han, David A. Micha, Dmitri S. Kilin, Ab initio study of the photocurrent at the Au/Si metal semiconductor nano-interface, Mol. Phys. (2015) vol. 113, iss. 3-4, pp (DOI: / ) (IF=1.642) [17] Shuping Huang, Talgat Inerbaev, Dmitri Kilin, Excited state dynamics of Ru 10 cluster interfacing anatase TiO 2 (101) surface and liquid water, J. Phys. Chem. Lett., (2014) vol. 5, iss. 16, pp (DOI: /jz501221k) (IF=6.687, cited 4 times) [18] Shuping Huang and Dmitri Kilin, Properties of Eigenvectors of Liouville Super-operator: Case Study of TiO 2 Nanowires, J. Chem. Theory and Computation, (2014), vol. 10, iss. 9, pp (DOI: /ct ). (IF=5.310, cited 2 times) [19] Qingguo Meng, Jiangchao Chen, Dmitri Kilin, Proton reduction at surface of transition metal nano catalyst, Molecular Simulations (2015), vol. 451, pp DOI: / (IF=1.119, cited 1 time) [20] Anna Y. Likhacheva, Sergey V. Rashchenko, Artem D. Chanyshev, Talgat M. Inerbaev, Konstantin D. Litasov, and Dmitry S. Kilin, Thermal equation of state of solid naphthalene to 13 GPa and 773 K: In situ X-ray diffraction study and first principles calculation, J. Chem. Phys. (2014) 140, pp (IF=3.142, cited 3 times) 13

14 [21] Jiangchao Chen, Andrew M. Hochstatter, Dmitri Kilin, P. Stanley May, Qingguo Meng, and Mary T. Berry, Photofragmentation of Gas-Phase Lanthanide Cyclopentadienyl Complexes: Experimental and Time-Dependent Excited-State Molecular Dynamics, Organometallics, (2014) 33 (7), pp [22] Ge Yao, Mary T. Berry, P. Stanley May, Dmitri S. Kilin, Non-collinear spin DFT for Lanthanide Ions in Doped Hexagonal- NaYF4 Molecular Physics, (2014) , pp (IF=1.642, cited 1 time) [23] A. Kryjevski, D. Kilin, Multiple Exciton Generation in Silicon Quantum Dot Arrays: Density Functional Theory Computation Molecular Physics, (2014) 112, iss , pp DOI: / (IF=1.642, cited 2 times) [24] J. Chen, Q. Meng, M. Berry, S. May, D. Kilin Time-Dependent Excited-State Molecular Dynamics of Photodissociation of Lanthanide Complexes for Laser-Assisted Metal-Organic Chemical Vapour Deposition, Molecular Physics, (2014) 112, iss , pp DOI: / (IF=1.642, cited 4 times) [25] Y. Zhang, C. Qiu, D. Kilin Electrons Dynamics in Charged Wet TiO2 Anatase (001) Surface Functionalized by Ruthenium Ions Molecular Physics, (2014) 112, iss , pp DOI: / (IF=1.642, cited 4 times) [26] Jeffery D. Mottishaw, Hai-Ping Cheng, Valentin Karasev, Qi Hua Fan, Haoran Sun, Dmitri Kilin, Elucidating the role of non-radiative processes in charge transfer of model coreshell Si:SiO2 nanoparticles. Molecular Physics, (2014) 112, iss , pp DOI: / (IF=1.642, cited 1 time) [27] Shuping Huang and Dmitri S. Kilin, Electronic structure and hot carrier relaxation in 001 anatase TiO 2 nanowire, Molecular Physics, (2014) 112, iss , pp DOI: / (IF=1.642, cited 5 times) [28] Yulun Han, Sergei Tretiak, and Dmitri S. Kilin, Dynamics of charge transfer at Au/Si metalsemiconductor nano-interface, Molecular Physics, (2014) 112, iss , pp DOI: / (IF=1.642, cited 2 times) [29] Iek-Heng Chu, D. S. Kilin, and Hai-Ping Cheng, Photoinduced charge transfer in functionalized carbon nanotubes, J. Phys. Chem. C 17 (2013) DOI: /jp402600m (IF=4.805, cited 5 times) [30] J. Chen, A. Schmitz, T. Inerbaev, Q. Meng, S. Kilina, S. Tretiak, D. Kilin, First-Principles Study of p-n Doped Silicon Quantum Dots: Charge Transfer, Energy Dissipation, and Time-Resolved Emission, J. Phys. Chem. Lett., 4 (2013) DOI: /jz400760h (IF=6.585, cited 12 times) [31] Ge Yao, Mary T. Berry, P. Stanley May, Dmitri S. Kilin DFT Calculation of Russell-Saunders Splitting for Lanthanide Ions Doped in Hexagonal β - NaYF 4 Nanocrystals J. Phys. Chem. C, 117 (33) (2013) DOI: /jp404206e (IF=4.805, cited 7 times) [32] A. Kryjevski, S. Kilina, D. Kilin, Optoelectronic Properties of Arrays of Silicon Quantum Dots: DFT Computation, J. Renewable and Sustainable Energy 5, (2013) DOI: / (IF=1.51, cited 8 times) [33] T. Inerbaev, J. Hoefelmeyer, and D. Kilin, Photoinduced Charge Transfer From Titania to Surface 14

15 Doping Site, J. Phys. Chem. C 117 (2013) DOI: /jp311076w. (IF=4.805, cited 23 times) [34] Svetlana V. Kilina, Amanda J. Neukirch, Bradley F. Habenicht, Dmitri S. Kilin, and Oleg V. Prezhdo, Quantum Zeno Effect Rationalizes the Phonon Bottleneck in Semiconductor Quantum Dots Phys. Rev. Lett, 110 (2013) DOI: /PhysRevLett (IF=7.013, cited 25 times) [35] T. J. Vazhappilly, D. S. Kilin, and D. A. Micha, Photoabsorbance and Photovoltage of Crystalline and Amorphous Silicon Slabs with Silver Adsorbates, J. Phys. Chem. C, 116 (2012) DOI: /jp306845g (IF=4.805 cited 10 times) [36] J. Chen, A. Schmitz. D. Kilin, Computational simulation of the p-n doped silicon quantum dot, Int. J. Quant. Chem. 112 (2012) doi: /qua (IF=1.302 cited 17 times) [37] S. J. Jensen, D. S. Kilin, Anatase (100) thin film surface computational model for photoelectrochemical cell, Int. J. Quant. Chem. 112 (2012) (IF=1.302, cited 8 times) [38] Y. Zhang, D. Kilin, Computational modeling of wet TiO2 (001) anatase surfaces functionalized by transition metal doping, Int. J. Quant. Chem. 112 (2012) (IF=1.302, cited 9 times) [39] Ge Yao, M. T. Berry, P. S. May, D. S. Kilin, Optical properties of host material for phosphor computational modeling, Int. J. Quant. Chem. 112 (2012) (IF=1.302, cited 3 times) [40] Q. G. Meng, P. S. May, M. T. Berry, D. S. Kilin, Sequential hydrogen dissociation from a charged P t 13 H 24 cluster modeled by ab initio molecular dynamics, Int. J. Quantum Chem. 112 (2012) 3896 (IF=1.302, cited 8 times) [41] T. M. Inerbaev, J. D. Hoefelmeyer, D. S. Kilin, Atomistic Simulation of Dissipative Charge Carrier Dynamics for Photocatalysis, MRS Proceedings, 1390 (2012) mrsf i (cited 9 times) [42] S. V. Kilina, D. S. Kilin,V. V. Prezhdo, and O. V. Prezhdo, Theoretical Study of Electron-Phonon Relaxation in PbSe and CdSe Quantum Dots: Evidence for Phonon Memory, J. Chem. Phys. C 115 (2011) (IF=4.115 cited 30 times) [43] M. G. Mavros, D. A. Micha, and D. S. Kilin, Optical Properties of Doped Silicon Quantum Dots with Crystalline and Amorphous Structures, in print, J. Chem. Phys. C 115 (2011) (IF=4.115 cited 21 times) [44] J. J. Ramirez, D. S. Kilin, and D. A. Micha, Electronic Structure and Optical Absorbance of Doped Amorphous Silicon Slabs, Int. J. Quant. Chem. 112 (2012) 300. (IF = 1.19 cited 8 times) [45] D. S. Kilin and D. A. Micha, Modeling the Photovoltage of Doped Si Surfaces, J. Chem. Phys. C 115 (2011) 770. (IF=4.115, cited 20 times) [46] T. W. LaJoe, J. J. Ramirez, D. S. Kilin, and D. A. Micha, Optical Properties of Amorphous and Crystalline Si Surfaces Functionalized with Ag Adsorbates, Int. J. Quant. Chem. 110 (2010) (IF = 1.19 cited 15 times) [47] D. Arlund, D. A. Micha, and D. S. Kilin, Computational studies of the optical properties of silicon compounds bonding to silver atoms and with group III and V substituents, in print, Int. J. Quant. Chem. 110 (2010) (IF = 1.19, cited 5 times) [48] A. S. Leathers, D. A. Micha, D. S. Kilin, Direct and indirect electron transfer at a semiconductor surface with an adsorbate: Theory and application to Ag 3 Si(111):H, J. Chem. Phys. 132 (2010) (IF = 3.610, cited 10 times) 15

16 [49] D. S. Kilin, D. A. Micha, Relaxation of photoexcited electrons at a nanostructured Si(111) surface, J. Phys. Chem. Lett. 1 (2010) (IF=4.805 cited 36 times) [50] J. J. Ramirez, D. S. Kilin, D. A. Micha, Optical Properties of the Si surfaces with adsorbed Ag clusters, Int. J. Quant. Chem. 109 (2009) (IF = 1.19, cited 17 times) [51] A. S. Leathers, D. A. Micha, D. S. Kilin, Density matrix treatment of combined instantaneous and delayed dissipation for an electronically excited adsorbate on a solid surface, J. Chem. Phys. 131 (2009) (IF = 3.610, cited 14 times) [52] D. Kilin, K. Tsemekhman, S. Kilina, A. Balatski, O. Prezhdo, Photo induced conductivity of porphyrin-gold composite nanowire, J. Chem. Phys. A 113 (2009) (IF=4.115, cited 19 times) [53] D. Kilin, D. A. Micha, Surface photovoltage at nano-structures on Si-surfaces: Ab initio results, J. Phys. Chem. C 113 (2009) (IF=4.115, cited 27 times) [54] S. Kilina, D. Kilin, O. Prezhdo, Breaking the phonon bottleneck in PbSe and CdSe quantum dots: Time-domain density functional theory of carrier relaxation, ACS Nano 3 (2009) 93. ( cited 106 times) [55] D. Kilin, D. A. Micha, Atomic modeling of surface photovoltage: Application to Si(111):H, Chem. Phys. Lett. 461 (2008) 266. (IF=2.207, cited 21 times) [56] D. S. Kilin, O. V. Prezhdo, Y. N. Xia, Shape-controlled synthesis of silver nanoparticles: Ab initio study of preferential surface coordination with citric acid, Chem. Phys. Lett. 458 (2008) 113. (IF=2.207, cited 103 times) [57] D. S. Kilin, K. Tsemekhman, O. V. Prezhdo, E. I. Zenkevich, C. von Borczyskowski, Ab initio study of exciton transfer dynamics from a core-shell semiconductor quantum dot to a porphyrin-sensitizer, J. Photochem. Photobiol. A 190 (2007) 342. (IF = 2.098, cited 42 times) [58] D. S. Kilin, O. V. Prezhdo, M. Schreiber, Photoinduced vibrational coherence transfer in molecular dimers, J. Phys. Chem. A 111 (2007) (IF=3.047, cited 11 times) [59] S. V. Kilina, D. S. Kilin, C. F. Craig, O. V. Prezhdo, Ab initio time-domain study of phononassisted relaxation of charge carriers in a PbSe quantum dot, J. Phys. Chem. C 111 (2007) (IF=4.115, cited 78 times) [60] D. Kilin, Y. V. Pereverzev, O. V. Prezhdo, Electron-nuclear correlations for photo-induced dynamics in molecular dimers, J. Chem. Phys. 120 (2004) (IF = 3.610, cited 30 times) [61] J. A. Cina, D. S. Kilin, T. S. Humble, Wavepacket Interferometry for Short Time Electronic Energy Transfer: Multidimensional Optical Spectroscopy in the Time Domain, J. Chem. Phys. 118 (2003) 46. (IF = 3.610, cited 28 times) [62] E. I. Zenkevich, A. Willert, S. M. Bachilo, U. Rempel, D. S. Kilin,A. M. Shulga, C. von Borczyskowski, Competition between electron transfer and energy migration in self-assembled porphyrin triads, Materials Science and Engineering: C 18 (2001) 99. (IF = 1.325, cited 11 times) [63] E. I. Zenkevich, D. S. Kilin, A. Willert, S. M. Bachilo, A. M. Shulga, U. Rempel, C. von Borczyskowski, Photoinduced electron transfer dynamics for self-assembled porphyrin arrays in solutions and films, Molec. Crystal Liq. Crystal 361 (2001) 83. (IF= 2.170, cited 7 times) [64] D. Kilin, U. Kleinekathöfer, M. Schreiber, Electron Transfer in Porphyrin Complexes in Different Solvents, J. Phys. Chem. A 104 (2000) (IF=3.047, cited 18 times) 16

17 [65] D. Kilin, M. Schreiber, Decoherence for phase-sensitive relaxation, J. Lumin. 92 (2000) 13. (IF = 1.441, cited 4 times) [66] M. Schreiber, D. Kilin, U. Kleinekathöfer, Comparison of two models for bridge-assisted charge transfer, J. Lumin (1999) 235. (IF = 1.441, cited 12 times) [67] D. Kilin, M. Schreiber, Influence of phase-sensitive interaction on the decoherence process in molecular systems, J. Lumin (1998) 433. (IF = 1.441, cited 3 times) Refereed book chapters [68] Qingguo Meng and D. S. Kilin, Anions vs. Cations of Pt 13 H 24 cluster model, ab initio molecular dynamics investigation of electronic properties and photocatalytic activity, ACS Book Series, Nanotechnology for Sustainable Energy Volume II, Editors: Uwe Burghaus, Yun Hang Hu, and Robert Hauserman (2013) Vol. 1140, Chapter 7, pp DOI: /bk ch007 [69] Stephanie J. Jensen and D. S. Kilin, Dissipative Dynamics of Charge in Silver Doped TiO 2 Anatase (100) Surface, ACS Book Series, Nanotechnology for Sustainable Energy Volume II, Editors: Uwe Burghaus, Yun Hang Hu, and Robert Hauserman (2013) Vol. 1140, Chapter 8, pp DOI: /bk ch008 Published conference proceedings [70] *R. T. Paulsen, D. S. Kilin, Silver Nanoparicles for Catalysis of Hydrogen Peroxide Decomposition: Atomistic Modeling, MRS Proceedings accepted, (2015). [71] S. Huang, T. M. Inerbaev, D. S. Kilin, Excited state non-adiabatic dynamics simulation of Ru cluster interfacing anatase TiO2(101) surfaced liquid water, Prepr. Pap.-Am. Chem. Soc., Div. Energy Fuels Chem. 59(2) (2014) [72] G. Yao, M. T. Berry, P. S. May, D. S. Kilin, Probability of trivalent molybdenum (D 3 ) spin crossover in hexagonal phase NaYF 4 nanocrystalls, Prepr. Pap.-Am. Chem. Soc., Div. Energy Fuels Chem. 59(2) (2014) [73] D. J. Vogel, D. S. Kilin, Role of salvation on electron dynamics of titanium hydroxide, Prepr. Pap.-Am. Chem. Soc., Div. Energy Fuels Chem. 59(2) (2014) 904. [74] S. J. Jensen, D. S. Kilin, Cobalt doped TiO2 anatase (100) surface photo-electrochemical cell: computational spin restricted analysis of surface ingrained vs. above surface models, Prepr. Pap.- Am. Chem. Soc., Div. Energy Fuels Chem. 59(2) (2014) 903. [75] N. K. Dandu, S. V. Kilina, D. S. Kilin, Effect of surface defects on electronic and optical properties of silicon quantum dots, Prepr. Pap.-Am. Chem. Soc., Div. Energy Fuels Chem. 59(2) (2014) 984. [76] S. Huang, D. S. Kilin, Anatase TiO2 Nanowires, Thin Films, and Surfaces: Ab initio Studies of Electronic Properties and Non-adiabatic Excited State Dynamics MRS Proceedings 1659, (2014) mrsf ss06-04, pp doi: /opl [77] D. J. Vogel, D. S. Kilin, Electron Dynamics of Solvated Ti (OH) 4, MRS Proceedings 1647, ((2014)) mrsf gg08-07, doi: /opl [78] A. Kryjevski, D. Kilin, S. Kilina, Spatially non-uniform field response in arrays of silicon quantum dots: DFT computation, 2013 IEEE International Conference on Electro/Information Technology (EIT), DOI: /EIT , (2013)

18 [79] J. Mottishaw, M. Dubey, D. Kilin, Q.-H. Fan, H. Sun, Calculating electronic properties of the Si:SiO2 interface using density functional theory with periodical boundary condition, 2013 IEEE International Conference on Electro/Information Technology (EIT), DOI: /EIT , (2013) 1-6. [80] T. M. Inerbaev, D. S. Kilin, J. D. Hoefelmeyer, Dissipative charge carrier dynamics for photocatalysis, Prepr. Pap.-Am. Chem. Soc., Div. Energy Fuels Chem. 57(2) (2012) 429. [81] I. Mikhailov, J. Chen, A. Schmitz, D. Kilin, Dynamics of charge transfer at p-n junction, Prepr. Pap.-Am. Chem. Soc., Div. Energy Fuels Chem. 57(2) (2012) 527. [82] S. Jensen, D. Kilin, Computational modeling of TiO2 anatase (100) thin film photoelectrochemical cell, Prepr. Pap.-Am. Chem. Soc., Div. Energy Fuels Chem. 57(2) (2012) 536. [83] I. Mikhailov, J. Chen, A. Schmitz, D. Kilin, Codoped quantum dots as interacting qubits, Prepr. Pap.-Am. Chem. Soc., Div. Energy Fuels Chem. 57(2) (2012) 555. [84] Q. G. Meng, P. S. May, M. T. Berry, Charged Pt-nanocatalyst: ab initio dynamics of hydrogen reduction, Prepr. Pap.-Am. Chem. Soc., Div. Energy Fuels Chem. 57(2) (2012) 524. [85] T. M. Inerbaev, D. S. Kilin, J. D. Hoefelmeyer, Dissipative carrier dynamics for photocatalysis Prepr. Pap.-Am. Chem. Soc., Div. Energy Fuels Chem. 57(1) (2012) 43. [86] T. M. Inerbaev, D. S. Kilin, J. D. Hoefelmeyer, Atomistic Simulation of Charge Transfer at Semiconductor Surfaces, Prepr. Pap.-Am. Chem. Soc., Div. Energy Fuels Chem. 57(1) (2012) 729. [87] C. J. Obara, D. S. Kilin, D. A. Micha, Electronic confinement effects and optical properties of multilayer slabs of silicon: Numerical model studies, invited paper The International Society for Optical Engineering, Proc. of SPIE Vol (2009) 73960O. [88] D. S. Kilin, U. Kleinekathöfer, M. Schreiber, Photo-induced intermolecular charge transfer in porphyrin complexes, Proc. 3rd Intl. Conf. Excitonic Proc. Cond. Mat. Pennington, NJ (1998) 99. [89] M. Schreiber, D. S. Kilin, Cumulant expansion method in the density matrix approach to wave packet dynamics in molecular systems, Proc. 2nd Intl. Conf. Excitonic Proc. Cond. Mat. Dresden (1996) 331. [90] D. S. Kilin, J. A. Cina, Wavepacket interferometry for exciton transfer in molecular dimers, Tech. Digest 13th Intl. Conf. Ultrafast Phenomena 72 (2002) 242. Web-publications [91] D. S. Kilin, J. A. Cina, O. V. Prezhdo, Electronic energy transfer: vibrational control and nonlinear wavepacket interferometry, preprint, quant-ph/ (2004). [92] T. Inerbaev, J. Hoefelmeyer, D. Kilin Effect of RuO2 catalyst on dissipative electron dynamics in titanium dioxide, Access Recorded Technical Sessions from the 242nd ACS National Meeting in Denver, (2011) Theses [93] D. Kilin, The role of the environment in molecular systems, Ph.D. thesis, Chemnitz University of Technology, quant-ph/ (2000). 18

19 [94] D. Kilin, Quantum wires in external electromagnetic fields, Master s thesis, Belarus State University (1996). HONORS, AWARDS, COACHING AWARD-WINNERS and COAUTHORING AWARD-WINNING PAPERS 2015 USD College of Arts and Sciences Travel Award for 249th ACS meeting invited presentation PHYS- 98: Excited state dynamics at metal to semiconductor interfaces IBM-Zerner Graduate Student Award to Stephanie J. Jensen for the paper Cobalt doped TiO2: A computational analysis of dopant placement and charge direction on thin film anatase, in coauthorship with D. Kilin, 55th Sanibel Symposium. IBM-Löwdin Postdoctoral Award to Ge Yao for the paper Molecular dynamics in finding nonadiabatic coupling for β-nayf 4 : Ce 3+ nanocrystals, in co-authorship with M. T. Berry, P.S. May, and D. S. Kilin, 55th Sanibel Symposium. Dell-Intel-O Brien Undergraduate Award to Adam Erck for the paper Photo-induced excitons at carbon nanotube and semiconducting nanowire interfaces in co-authorship with W. Sapp and D. Kilin, 54th Sanibel Symposium USD U-Discover summer research fellowship award to Adam Erck for computation and experiment on metal-organic super containers. USD CURCA travel grant to Wendi Sapp and Adam Erck for travel to Sanibel Symposium. Dell-Intel-O Brien Undergraduate Award to Wendi Sapp for the paper Computational binding studies for host-guest interaction of metal- organic super containers in coauthorship with Adam Erck, Z. Rick Wang, and D. Kilin, 54th Sanibel Symposium nd best Proceedings paper at IEEE EIC2013 meeting Paper No. EIT A. Kryjevski, S. Kilina, D. Kilin, Spatially Non-Uniform Field Response in Arrays of Silicon Quantum Dots: DFT Computation Proceedings of IEEE EIT 2013 International Conference, May 9-11, Rapid City, SD 3rd best Proceedings paper at IEEE EIC2013 meeting J. D. Mottishaw, M. Dubey, D. Kilin, Q.-H. Fan, and H Sun, Calculating Electronic Properties of the Si:SiO2 Interface Using Density Functional Theory with Periodical Boundary Condition Proceedings of IEEE EIT 2013 International Conference, May 9-11, Rapid City, SD Dell-Intel Young Investigator Award to A. Kryjevski for the paper Photoexcitations in arrays of semiconductor QDs: DFT computation in coauthorship with D. Kilin and S. Kilina, 53rd Sanibel Symposium. IBM-Löwdin Postdoctoral Award to J. Chen for the paper Ab Initio Molecular Dynamics of Photodissociation of Lanthanide Cyclopentadienyl-type Precursors for Laser-Assisted MOCVD in coauthorship with M. Berry, S. May, Q. Meng, and D. Kilin, 53rd Sanibel Symposium. IBM-Zerner Graduate Student Award to Stephanie J. Jensen for the paper Ab initio molecular dynamics of Ag, Ni, and Co doped titanium dioxide anatase (100) surface photoelectrochemical cell in coauthorship with D. Kilin, 53rd Sanibel Symposium. 19

20 2012 Dell-Intel Young Investigator Award to Q. Meng for the paper Electronic structure of Pt cluster and its surface chemistry in coauthorship with M. Berry, S. May, and D. Kilin, 52nd Sanibel Symposium. Dell-Intel-O Brien Undergraduate Award to A. Schmitz for the paper Electronic structure of Pt cluster and its surface chemistry in coauthorship with J. Chen, and D. Kilin, 52nd Sanibel Symposium Best Talk in Chemical Physics, American Physical Society, Seattle, WA 2001 Max Plank Travel Fellowship, Inst. für Physik Komplexer Systeme, Dresden, Germany 1995 Soros Foundation Fellow 1993,1995 Outstanding Undergraduate Student State Fellowship, Belarus State University 1991 National Physics Olympics of Republic of Belarus (Third Prize) PROFESSIONAL REFERENCES David A. Micha Professor of Chemistry and Physics, University of Florida, Gainesville, FL phone: (352) Oleg V. Prezhdo Professor of Chemistry, University of Washington, Seattle, WA phone: (206) Jeffrey A. Cina Professor of Theoretical Chemistry, University of Oregon, Eugene, OR phone: (541) Michael Schreiber Professor of Physics, Chemnitz University of Technology, Chemnitz, Germany phone: +49 (0371)