Ganesh Kamath, Ph.D.
Affiliations: | 2006 | Wayne State University, Detroit, MI, United States |
Area:
Chemical EngineeringGoogle:
"Ganesh Kamath"Parents
Sign in to add mentor| Jeffrey J. Potoff | grad student | 2006 | Wayne State | |
| (Molecular modeling of phase behavior and microstructure of associating fluids, oil reservoir fluids and chemical warfare agents.) | ||||
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Publications
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| Kurnikov IV, Pereyaslavets L, Kamath G, et al. (2024) Neural Network Corrections to Intermolecular Interaction Terms of a Molecular Force Field Capture Nuclear Quantum Effects in Calculations of Liquid Thermodynamic Properties. Journal of Chemical Theory and Computation |
| Illarionov A, Sakipov S, Pereyaslavets L, et al. (2023) Combining Force Fields and Neural Networks for an Accurate Representation of Chemically Diverse Molecular Interactions. Journal of the American Chemical Society. 145: 23620-23629 |
| Pereyaslavets L, Kamath G, Butin O, et al. (2022) Accurate determination of solvation free energies of neutral organic compounds from first principles. Nature Communications. 13: 414 |
| Shakourian-Fard M, Ghenaatian HR, Kamath G, et al. (2020) Unraveling the effect of nitrogen doping on graphene nanoflakes and the adsorption properties of ionic liquids: A DFT study Journal of Molecular Liquids. 312: 113400 |
| Shakourian-Fard M, Kamath G, Taimoory SM, et al. (2019) Calcium-Ion Batteries: Identifying Ideal Electrolytes for Next-Generation Energy Storage Using Computational Analysis The Journal of Physical Chemistry C. 123: 15885-15896 |
| Pereyaslavets L, Kurnikov I, Kamath G, et al. (2018) On the importance of accounting for nuclear quantum effects in ab initio calibrated force fields in biological simulations. Proceedings of the National Academy of Sciences of the United States of America |
| Shakourian-Fard M, Maryamdokht Taimoory S, Semeniuchenko V, et al. (2018) The effect of ionic liquid adsorption on the electronic and optical properties of fluorographene nanosheets Journal of Molecular Liquids. 268: 206-214 |
| Kamath G, Kurnikov I, Fain B, et al. (2016) Prediction of cyclohexane-water distribution coefficient for SAMPL5 drug-like compounds with the QMPFF3 and ARROW polarizable force fields. Journal of Computer-Aided Molecular Design |
| Shakourian-Fard M, Jamshidi Z, Kamath G. (2016) Surface Charge Transfer Doping of Graphene Nano-Flakes Containing Double-Vacancy (5-8-5) and Stone-Wales (55-77) Defects via Molecular Adsorption. Chemphyschem : a European Journal of Chemical Physics and Physical Chemistry |
| Shakourian-Fard M, Kamath G, Sankaranarayanan S. (2016) Evaluating the ion-electrolyte solvation free energy and electronic properties of Lithium-ion battery electrolytes. Chemphyschem : a European Journal of Chemical Physics and Physical Chemistry |