Curriculum Vitae of Bhargava B. L.

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1 Curriculum Vitae of Bhargava B. L. Name Contact Information Bhargava B.L. ICMS Voice : Beury Hall, Room 130 Fax : Temple University bhargav@sas.upenn.edu, bhargava1@gmail.com 1901 North 13th Street WWW : bhargav Philadelphia PA , USA Date of Birth 22 nd August 1980 Nationality Research Interests Education Indian Peptide nanorings, Lipids, Multiheaded surfactants, Gemini surfactants, Amyloid-β peptide, Proteins, Molecular dynamics (MD), Ab initio methods, Monte Carlo (MC) methods, Force Fields, Coarse Grain MD, Free energy methods Jawaharlal Nehru Centre for Advanced Scientific Research, Jakkur, Bangalore, Ph.D., Chemistry and Physics of Materials Unit, October 2007 Thesis Title: Room Temperature Ionic Liquids: Classical and Ab initio Molecular Dynamics Simulation Studies Advisor: Prof. S. Balasubramanian University of Mysore, Mysore, Karnataka, India M.Sc., Physics, May, 2003, First Rank in university Kuvempu University, Shankaragatta, Shimoga, India B.Sc., (Physics, Chemistry, Mathematics), May, 2001, First Rank in university Awards and Scholarships Molecular Physics Longuet-Higgins Young Author Award for 2009 Medal for best Ph.D. thesis in physical sciences for the year Best Poster award at Chemical Research Society of India, National Symposium in Chemistry - 8, IIT Bombay, Mumbai, India in 2006 Council for Scientific and Industrial Research, Junior and Senior Research Fellowship, Jan 2004 to Nov 2007 Prof. K.N. Srinivasa Rao endowment prize for the academic performance in M.Sc. in 2003 Prof. S. Chandrashekar, Prof. C. Pancharathnam and Prof. S.B. Bondade Gold Medals for being first in the university in 2003 S.S. Parvathamma Gold Medal for being first in the university in 2001

2 Research Experience University of Pennsylvania, Philadelphia, Pennsylvania, USA. Post-doctoral researcher December, Present at Center for Molecular Modeling and also at ICMS, Temple University. Mentor: Prof. Michael L. Klein Jawaharlal Nehru Centre for Advanced Scientific Research, Bangalore, Karnataka, Graduate Student August, November, 2007 Includes Ph.D. research, Ph.D. and Masters level coursework and research projects. Teaching Experience Temple University, Philadelphia, Pennsylvania, USA. Teaching Assistant, Statistical Thermodynamics 2010 Teaching Assistant, Computational Chemistry, 2010 Professional Service Publications Reviewer for Journal of Physical Chemistry, ChemPhysChem, Australian Journal of Chemistry 1. Formation of inter-connected aggregates in aqueous dicationic ionic liquid solutions. B.L. Bhargava and M.L. Klein. Journal of Chemical Theory and Computation, 2010, 6, Aqueous solutions of imidazolium ionic liquids: Molecular dynamics studies. B.L. Bhargava and M.L. Klein. Soft Matter, 2009, 5, Initial stages of aggregation in aqueous solutions of ionic liquids: Molecular dynamics studies. B.L. Bhargava and M.L. Klein. Journal of Physical Chemistry B, 2009, 113, Formation of micelles in aqueous solutions of a room temperature ionic liquid: A study using coarse grained molecular dynamics. B.L. Bhargava and M.L. Klein. Molecular Physics, 2009, 107, (Won the Molecular Physics Longuet-Higgins Young Author s Prize for 2009) 5. Molecular dynamics studies of cation aggregation in the room temperature ionic liquid [C 10 mim][br] in aqueous solution. B.L. Bhargava and M. L. Klein. Journal of Physical Chemistry A, 2009, 113, Nanoclusters of room temperature ionic liquids: A molecular dynamics simulation study. S.S. Sarangi, B.L. Bhargava and S. Balasubramanian. Physical Chemistry Chemical Physics, 2009, 11, Molecular dynamics study of CO 2 - [bmim][pf 6 ] mixture: Effect of CO 2 concentration. B.L. Bhargava, A.C. Krishna and S. Balasubramanian. AIChE Journal, 2008, 54, Modelling room temperature ionic liquids B.L. Bhargava, S. Balasubramanian and M.L. Klein. Chemical Communications, 2008, (Feature Article).

3 9. Ab initio molecular dynamics simulation studies of 1-ethyl-3-methylimidazolium fluoride - hydrogen fluoride mixture. B.L. Bhargava and S. Balasubramanian. J. Phys. Chem. B 2008, 112, Ab initio studies on [bmim][pf 6 ] - CO 2 mixture and CO 2 clusters. B.L. Bhargava, M. Saharay and S. Balasubramanian. Bulletin of Material Science 2008, 31, Structural correlations and charge ordering in a room temperature ionic liquid: The case of [bmim][pf 6 ]. B.L. Bhargava, M.L. Klein and S. Balasubramanian. ChemPhysChem 2007, 9, Nanoscale organization in room temperature ionic liquids: A coarse grained molecular dynamics simulation study. B.L. Bhargava, R. DeVane, M.L. Klein, and S. Balasubramanian. Soft Matter 2007, 3, A refined potential model for atomistic simulations of an ionic liquid, [bmim][pf 6 ]. B.L. Bhargava and S. Balasubramanian. J. Chem. Phys. 2007, 123, Probing anion-carbon dioxide interactions in room temperature ionic liquids: Gas phase cluster calculations B.L. Bhargava and S. Balasubramanian. Chem. Phys. Lett. 2007, 444, Insights into the structure and dynamics of a room temperature ionic liquid: Ab initio molecular dynamics simulation studies of [bmim][pf 6 ] and the [bmim][pf 6 ] - CO 2 mixture. B.L. Bhargava and S. Balasubramanian J. Phys. Chem. B 2007, 111, Layering at an ionic liquid-vapor interface: A molecular dynamics simulation study of [bmim][pf 6 ]. B.L. Bhargava and S. Balasubramanian J. Am. Chem. Soc. 2006, 128, Intermolecular structure and dynamics in an ionic liquid: A Car-Parrinello molecular dynamics simulation study of 1,3-dimethylimidazolium chloride. B.L. Bhargava and S. Balasubramanian Chem. Phys. Lett. 2006, 417, Dynamics in a room temperature ionic liquid: A computer simulation study of 1,3-dimethylimidazolium chloride. B.L. Bhargava and S. Balasubramanian J. Chem. Phys. 2005, 123, (Selected for the Virtual Journal of Ultrafast Science, 4 (11) 2005) J. Chem. Phys. 2006, 125, (Erratum)

4 Conferences and Workshops attended American Chemical Society Meeting, August 2010, Boston, United States of America. Computational Biophysics Workshop, July 2009, Champaign, United States of America. International Workshop on Advanced Materials, February 2009, Ras Al Khaimah, United Arab Emirates. Third JNC Research Conference, September 2007, Munnar, Conference on Trends in Computational Materials Science, February 2007, Bangalore, Conference on Nucleation, Aggregation and Growth, January 2007, Bangalore, School on Understanding Molecular Simulations January 2007, Bangalore, Theoretical Chemistry Symposium, December 2006, Tiruchirapally, Second JNC Research Conference, November 2006, Kollam, Summer School on Electronic Structure Methods and applications, and Workshop on Computational materials theory, July 2006, Bangalore, India-European Thematic Meeting on Computational Material Science, February 2006, Bangalore, Eighth CRSI National Symposium in Chemistry, February 2006, Mumbai, School on Computational Approaches to Materials Science January 2006, Bangalore, Conference and School on Unifying Concepts in Glass Physics III, Statphys 22 Satellite meeting, June-July 2004, Bangalore, Emerging directions in Chemical Sciences, November 2003, Bangalore, Talks Given Aqueous solutions of ionic liquids: Atomistic and coarse-grained MD studies, Department of Chemistry, Temple University, Philadelphia, February Computational studies of ionic liquids, Department of Chemistry, University of Pennsylvania, Philadelphia, March Ab initio Molecular dynamics studies of [bmim][pf 6 ]-CO 2 mixtures, Third JNC Research Conference, September 2007, Munnar, Molecular dynamics studies of [bmim][pf 6 ] vapor-liquid interface, JNCASR in-house symposium Colloidal Particles, JNCASR, Gibbs Ensemble Monte-Carlo study of phase co-existence properties of a Lennard-Jones fluid, JNCASR, Neutron Scattering, JNCASR, Computer Skills Molecular Dynamic codes: LAMMPS, NAMD, CPMD, PINY MD Quantum Chemistry Packages: Gaussian 03, ADF 2006 Languages: Fortran 90, C, C++, Tcl scripting, Unix shell scripts, MPI programming Scientific Applications: Octave, Scilab, Mupad Plotting softwares: xmgrace, xmgr, gnuplot Visualization softwares: VMD, molden, xmov, xcrysden Applications: L A TEX, common Windows documentation and presentation software Operating Systems: Unix/Linux, Windows. Systems: Experience in using Cray XT4, Cray XT5, IBM and Beowulf clusters. Limited experience in building beowulf clusters. Mini projects Monte-Carlo study of phase coexistence properties of a Lennard-Jones fluid in Gibbs Ensemble. The phase coexistence properties and the critical point of the Lennard-Jones fluid were determined using Gibbs ensemble Monte-Carlo technique, by developing a Fortran 90 code. A small-amplitude criterion for the simple pendulum. The exact solution for the simple pendulum was derived and the range of angles for which the simple pendulum behaves as simple harmonic oscillator for different lengths was computed.

5 References Prof. S. Balasubramanian, Chemistry and Physics of Materials Unit, Jawaharlal Nehru Centre for Advanced Scientific Research, Jakkur, Bangalore bala@jncasr.ac.in Tel : Fax : URL : Prof. Michael L. Klein, Laura H. Carnell Professor of Science & Director, Institute for Computational Molecular Science, College of Science and Technology Temple University, Philadelphia, PA, 19122, United States of America. mlklein@temple.edu Tel : Fax : URL : Prof. Meheboob Alam, Engineering Mechanics Unit, Jawaharlal Nehru Centre for Advanced Scientific Research, Jakkur, Bangalore meheboob@jncasr.ac.in Tel : Fax : URL : Prof. Axel Kohlmeyer, Associate Director & Research Associate Professor, Institute for Computational Molecular Science, College of Science and Technology, Temple University, Philadelphia, PA, 19122, United States of America. akohlmey@temple.edu Tel : Fax : URL :

Suriyanarayanan Vaikuntanathan

Suriyanarayanan Vaikuntanathan Postdoctoral Fellow svaikunt@berkeley.edu University of California, Berkeley 240-274-3192 Google Scholar citations: http://scholar.google.com/citations?user=qws4178aaaaj