Gary L. Warren

Associate Professor, Chemistry, Chair, Natural Sciences

Faculty and Staff Directory
Gary L. Warren

School of Health and Natural Sciences
MH 117
gwarren1@mercy.edu
(914) 888-5369

Dr. Lee Warren has a strong record of teaching, scholarship, and service, spanning 15 years of full time teaching and research experience. He earned his B.S. in Chemistry and Mathematics from Newberry College and his Ph.D. in Chemistry from the University of Tennessee, Knoxville with concentrations in Chemical Physics and Physical Chemistry. Prior to joining the faculty at 91Ů��, Dr. Warren served for 7 years at The College of New Rochelle where he also served as Project Director for the college's $10 million Title III institutional development grant from the US Department of Education and as chair of the chemistry department. Dr. Warren has worked as a postdoctoral researcher in laboratories at the University of Delaware and the University of Tennessee in the areas of biomolecular force-field development and reconfigurable computing and has held an appointment as an Adjunct Professor at the Institute of Advanced Computational Science at Stony Brook University. Dr. Warren has authored or co-authored a number of peer-reviewed publications in the area of computational chemistry and his research interests are focused on the development and improvement of computational chemistry algorithms, particularly as applied to molecular clusters and interfacial systems. At 91Ů��, Dr. Warren brings this experience to a wide range of courses in chemistry and physics and in mentoring undergraduate research. He is very active in learning assessment, curricular development, and in improving student success in the sciences.

Education

Ph.D. Chemistry, Concentrations: Chemical Physics, Physical Chemistry

B.S. Chemistry, Mathematics

Teaching Focus

Dr. Warren frequently teaches introductory coursework and laboratories in Chemistry and Physics. He has over 12 years of experience teaching, advising, and mentoring students in these areas.

Selected Publications

• A. Gothandaraman, T. Nason, G. L. Warren, “A Disc-Based Decomposition Algorithm with Optimal Load Balancing for N -body Simulations,” International Conference for High Performance Computing, Networking, Storage and Analysis (SC'12) (2012)
• A. Gothandaraman, G. D. Peterson, G. L. Warren, R. J. Hinde and R. J. Harrison, “A Pipelined and Parallel Architecture for Quantum Monte Carlo Simulations on FPGAs,” VLSI Design, 2010, 946486 (2010)
• A. Gothandaraman, G. D. Peterson, G. L. Warren, R. J. Hinde and R. J. Harrison, “A Hardware-Accelerated Quantum Monte Carlo framework (HAQMC) for N-body systems,” Comp. Phys. Comm. 180, 2563 (2009)
• B. A. Bauer, G. L. Warren and Sandeep Patel, “Incorporating phase-dependent polarizability in non-additive electrostatic models for molecular dynamics simulations of the aqueous liquid-vapor interface,” J. Chem. Theory. Comp. 5, 359 (2009)
• G. L. Warren and Sandeep Patel, “Electrostatic properties of aqueous salt solution interfaces: A comparison of polarizable and non-polarizable ion models,” J. Phys. Chem. B 112, 11679 (2008)
• A. Gothandaraman, G. D. Peterson, G. L. Warren, R. J. Hinde, R. J. Harrison “FPGA acceleration of a quantum Monte Carlo application,” Parallel Comput. 34, 278 (2008)
• J. E. Davis, G. L. Warren and Sandeep Patel, “A revised charge equilibration potential for liquid alkanes,” J. Phys. Chem. B 112, 8298 (2008)
• G. L. Warren and Sandeep Patel, “A comparison of the solvation structure of polarizable and non-polarizable ions in bulk water and near the aqueous liquid-vapor interface,” J. Phys. Chem. C 112, 7455 (2008)
• G. L. Warren and Sandeep Patel, “Origin and control of super-linear polarizability scaling in chemical potential equalization methods,” J. Chem. Phys. 128, 144110 (2008)
• Y. Zhong, G. L. Warren, and Sandeep Patel, “Thermodynamic and structural properties of methanol-water solutions using non-additive interaction models.” J. Comp. Chem. 29, 1142 (2008)
• G. L. Warren and Sandeep Patel, “Hydration free energies of monovalent ions in TIP4P-FQ Water: An assessment of simulation methodology and force field performance and transferability,” J. Chem. Phys. 127, 064509 (2007)
• G. L. Warren and R. J. Hinde, “Population size bias in descendant-weighted diffusion quantum Monte Carlo simulations,” Phys. Rev. E 73, 056706 (2006)
• Y. Bi, G. D. Peterson, G. L. Warren, R. J. Harrison, “Hardware acceleration of parallel lagged-Fibonacci pseudorandom number generation,” In Proceedings of the International Conference on Engineering of Reconfigurable Systems and Algorithms (ERSA) (2006)
• Akila Gothandaraman, G. Lee Warren, Gregory D. Peterson, and Robert J. Harrison, “Reconfigurable Accelerator for Quantum Monte Carlo Simulations in N-body Systems,” International Conference for High Performance Computing, Networking, Storage and Analysis (SC'06) (2006)
• Yu Bi, Gregory D Peterson, G. Lee Warren, Robert J. Harrison, “A Reconfigurable Supercomputing Library for Accelerated Parallel Lagged-Fibonacci Pseudorandom Number Generation,” International Conference for High Performance Computing, Networking, Storage and Analysis (SC'06) (2006)