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Ganesh Kamath, Ph.D. - Publications

Affiliations: 
2006 Wayne State University, Detroit, MI, United States 
Area:
Chemical Engineering
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47 high-probability publications. We are testing a new system for linking publications to authors. You can help! If you notice any inaccuracies, please sign in and mark papers as correct or incorrect matches. If you identify any major omissions or other inaccuracies in the publication list, please let us know.

Year Citation  Score
2024 Kurnikov IV, Pereyaslavets L, Kamath G, Sakipov SN, Voronina E, Butin O, Illarionov A, Leontyev I, Nawrocki G, Darkhovskiy M, Olevanov M, Ivahnenko I, Chen Y, Lock CB, Levitt M, et al. 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. PMID 38240485 DOI: 10.1021/acs.jctc.3c00921  0.384
2023 Illarionov A, Sakipov S, Pereyaslavets L, Kurnikov IV, Kamath G, Butin O, Voronina E, Ivahnenko I, Leontyev I, Nawrocki G, Darkhovskiy M, Olevanov M, Cherniavskyi YK, Lock C, Greenslade S, et al. Combining Force Fields and Neural Networks for an Accurate Representation of Chemically Diverse Molecular Interactions. Journal of the American Chemical Society. 145: 23620-23629. PMID 37856313 DOI: 10.1021/jacs.3c07628  0.669
2022 Pereyaslavets L, Kamath G, Butin O, Illarionov A, Olevanov M, Kurnikov I, Sakipov S, Leontyev I, Voronina E, Gannon T, Nawrocki G, Darkhovskiy M, Ivahnenko I, Kostikov A, Scaranto J, et al. Accurate determination of solvation free energies of neutral organic compounds from first principles. Nature Communications. 13: 414. PMID 35058472 DOI: 10.1038/s41467-022-28041-0  0.717
2020 Shakourian-Fard M, Ghenaatian HR, Kamath G, Taimoory SM. 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. DOI: 10.1016/J.Molliq.2020.113400  0.306
2019 Shakourian-Fard M, Kamath G, Taimoory SM, Trant JF. Calcium-Ion Batteries: Identifying Ideal Electrolytes for Next-Generation Energy Storage Using Computational Analysis The Journal of Physical Chemistry C. 123: 15885-15896. DOI: 10.1021/Acs.Jpcc.9B01655  0.308
2018 Pereyaslavets L, Kurnikov I, Kamath G, Butin O, Illarionov A, Leontyev I, Olevanov M, Levitt M, Kornberg RD, Fain B. 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. PMID 30127031 DOI: 10.1073/Pnas.1806064115  0.325
2018 Shakourian-Fard M, Maryamdokht Taimoory S, Semeniuchenko V, Kamath G, Trant JF. The effect of ionic liquid adsorption on the electronic and optical properties of fluorographene nanosheets Journal of Molecular Liquids. 268: 206-214. DOI: 10.1016/J.Molliq.2018.07.054  0.323
2016 Kamath G, Kurnikov I, Fain B, Leontyev I, Illarionov A, Butin O, Olevanov M, Pereyaslavets L. 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. PMID 27585472 DOI: 10.1007/s10822-016-9958-4  0.308
2016 Shakourian-Fard M, Jamshidi Z, Kamath G. 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. PMID 27432283 DOI: 10.1002/Cphc.201600614  0.303
2016 Shakourian-Fard M, Kamath G, Sankaranarayanan S. 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. PMID 27257715 DOI: 10.1002/Cphc.201600338  0.335
2015 Shakourian-Fard M, Kamath G, Sankaranarayanan SK. Electronic Structure Insights into the Solvation of Magnesium Ions with Cyclic and Acyclic Carbonates. Chemphyschem : a European Journal of Chemical Physics and Physical Chemistry. PMID 26395020 DOI: 10.1002/Cphc.201500590  0.341
2015 Ravula S, Baker SN, Kamath G, Baker GA. Ionic liquid-assisted exfoliation and dispersion: stripping graphene and its two-dimensional layered inorganic counterparts of their inhibitions. Nanoscale. 7: 4338-53. PMID 25689172 DOI: 10.1039/C4Nr01524J  0.348
2015 Shakourian-Fard M, Kamath G, Smith K, Xiong H, Sankaranarayanan SKRS. Trends in Na-Ion Solvation with Alkyl-Carbonate Electrolytes for Sodium-Ion Batteries: Insights from First-Principles Calculations Journal of Physical Chemistry C. 119: 22747-22759. DOI: 10.1021/Acs.Jpcc.5B04706  0.302
2014 Deshmukh SA, Kamath G, Sankaranarayanan SK. Comparison of the interfacial dynamics of water sandwiched between static and free-standing fully flexible graphene sheets. Soft Matter. 10: 4067-83. PMID 24845025 DOI: 10.1039/C3Sm53044B  0.351
2014 Deshmukh S, Kamath G, Sankaranarayanan SK. Effect of nanoscale confinement on freezing of modified water at room temperature and ambient pressure. Chemphyschem : a European Journal of Chemical Physics and Physical Chemistry. 15: 1632-42. PMID 24715572 DOI: 10.1002/Cphc.201400016  0.398
2014 Deshmukh SA, Kamath G, Suthar KJ, Mancini DC, Sankaranarayanan SK. Non-equilibrium effects evidenced by vibrational spectra during the coil-to-globule transition in poly(N-isopropylacrylamide) subjected to an ultrafast heating-cooling cycle. Soft Matter. 10: 1462-80. PMID 24651446 DOI: 10.1039/C3Sm51750K  0.362
2014 Deshmukh SA, Kamath G, Mancini DC, Sankaranarayanan SK, Jiang W. Meso-scale Simulations of Poly(N-isopropylacrylamide) Grafted Architectures Mrs Proceedings. 1619. DOI: 10.1557/Opl.2014.542  0.303
2014 Deshmukh SA, Kamath G, Mancini DC, Sankaranarayanan SKRS. Effect of methanol/water mixtures on the lower critical solution temperature of poly(N-isopropylacrylamide) Materials Research Society Symposium Proceedings. 1622. DOI: 10.1557/Opl.2014.276  0.3
2014 Shakourian-Fard M, Kamath G, Jamshidi Z. Trends in Physisorption of Ionic Liquids on Boron-Nitride Sheets Journal of Physical Chemistry C. 118: 26003-26016. DOI: 10.1021/Jp506277N  0.304
2014 Potoff JJ, Kamath G. Mie potentials for phase equilibria: Application to alkenes Journal of Chemical and Engineering Data. 59: 3144-3150. DOI: 10.1021/Je500202Q  0.76
2013 Deshmukh S, Kamath G, Ramanathan S, Sankaranarayanan SK. Chloride ions induce order-disorder transition at water-oxide interfaces. Physical Review. E, Statistical, Nonlinear, and Soft Matter Physics. 88: 062119. PMID 24483398 DOI: 10.1103/Physreve.88.062119  0.314
2013 Bhatnagar N, Kamath G, Potoff JJ. Biomolecular simulations with the transferable potentials for phase equilibria: extension to phospholipids. The Journal of Physical Chemistry. B. 117: 9910-21. PMID 23895572 DOI: 10.1021/Jp404314K  0.762
2013 Kamath G, Deshmukh SA, Sankaranarayanan SK. Comparison of select polarizable and non-polarizable water models in predicting solvation dynamics of water confined between MgO slabs. Journal of Physics. Condensed Matter : An Institute of Physics Journal. 25: 305003. PMID 23819970 DOI: 10.1088/0953-8984/25/30/305003  0.416
2013 Kamath G, Deshmukh SA, Baker GA, Mancini DC, Sankaranarayanan SK. Thermodynamic considerations for solubility and conformational transitions of poly-N-isopropyl-acrylamide. Physical Chemistry Chemical Physics : Pccp. 15: 12667-73. PMID 23793265 DOI: 10.1039/C3Cp44076A  0.398
2013 Bhatnagar N, Kamath G, Potoff JJ. Prediction of 1-octanol-water and air-water partition coefficients for nitro-aromatic compounds from molecular dynamics simulations. Physical Chemistry Chemical Physics : Pccp. 15: 6467-74. PMID 23529577 DOI: 10.1039/C3Cp44284E  0.77
2013 Kamath G, Baker GA. Are ionic liquids suitable media for boron nitride exfoliation and dispersion? Insight via molecular dynamics Rsc Advances. 3: 8197-8202. DOI: 10.1039/C3Ra40488A  0.377
2013 Wagle D, Kamath G, Baker GA. Elucidating interactions between ionic liquids and polycyclic aromatic hydrocarbons by quantum chemical calculations Journal of Physical Chemistry C. 117: 4521-4532. DOI: 10.1021/Jp310787T  0.368
2013 Deshmukh SA, Kamath G, Baker GA, Sumant AV, Sankaranarayanan SKRS. The interfacial dynamics of water sandwiched between graphene sheets are governed by the slit width Surface Science. 609: 129-139. DOI: 10.1016/J.Susc.2012.11.017  0.349
2013 Deshmukh SA, Li Z, Kamath G, Suthar KJ, Sankaranarayanan SKRS, Mancini DC. Atomistic insights into solvation dynamics and conformational transformation in thermo-sensitive and non-thermo-sensitive oligomers Polymer (United Kingdom). 54: 210-222. DOI: 10.1016/J.Polymer.2012.11.009  0.371
2012 Bhatnagar N, Kamath G, Chelst I, Potoff JJ. Direct calculation of 1-octanol-water partition coefficients from adaptive biasing force molecular dynamics simulations. The Journal of Chemical Physics. 137: 014502. PMID 22779660 DOI: 10.1063/1.4730040  0.769
2012 Kamath G, Baker GA. In silico free energy predictions for ionic liquid-assisted exfoliation of a graphene bilayer into individual graphene nanosheets. Physical Chemistry Chemical Physics : Pccp. 14: 7929-33. PMID 22552225 DOI: 10.1039/C2Cp40824D  0.368
2012 Pandey S, Ali M, Kamath G, Pandey S, Baker SN, Baker GA. Binding of the ionic liquid cation 1-alkyl-3-methylimidazolium to p-tetranitrocalix[4]arene probed by fluorescent indicator displacement. Analytical and Bioanalytical Chemistry. 403: 2361-6. PMID 22526655 DOI: 10.1007/S00216-012-5980-0  0.302
2012 Kamath G, Bhatnagar N, Baker GA, Baker SN, Potoff JJ. Computational prediction of ionic liquid 1-octanol/water partition coefficients. Physical Chemistry Chemical Physics : Pccp. 14: 4339-42. PMID 22358154 DOI: 10.1039/C2Cp40122C  0.762
2012 Kamath G, Ketko M, Baker GA, Potoff JJ. Monte Carlo predictions of phase equilibria and structure for dimethyl ether + sulfur dioxide and dimethyl ether + carbon dioxide. The Journal of Chemical Physics. 136: 044514. PMID 22299898 DOI: 10.1063/1.3677880  0.77
2011 Ketko MH, Kamath G, Potoff JJ. Development of an optimized intermolecular potential for sulfur dioxide. The Journal of Physical Chemistry. B. 115: 4949-54. PMID 21476503 DOI: 10.1021/Jp2010524  0.744
2009 Sokkalingam N, Kamath G, Coscione M, Potoff JJ. Extension of the transferable potentials for phase equilibria force field to dimethylmethyl phosphonate, sarin, and soman. The Journal of Physical Chemistry. B. 113: 10292-7. PMID 19719285 DOI: 10.1021/Jp903110E  0.726
2009 Peguin RP, Kamath G, Potoff JJ, da Rocha SR. All-atom force field for the prediction of vapor-liquid equilibria and interfacial properties of HFA134a. The Journal of Physical Chemistry. B. 113: 178-87. PMID 19086791 DOI: 10.1021/Jp806213W  0.769
2008 Guvench O, Greene SN, Kamath G, Brady JW, Venable RM, Pastor RW, Mackerell AD. Additive empirical force field for hexopyranose monosaccharides. Journal of Computational Chemistry. 29: 2543-64. PMID 18470966 DOI: 10.1002/Jcc.21004  0.377
2007 Kamath G, Potoff JJ. Vapor-liquid equilibria of diethylamine + methanol, diethylamine + acetone and diethylamine + acetonitrile: Predictions of atomistic computer simulations Journal of Physical Chemistry C. 111: 1451-1458. DOI: 10.1021/Jp065276T  0.728
2006 Kamath G, Potoff JJ. Monte Carlo predictions for the phase behavior of H2 S+n-alkane, H2 S+CO2, CO2+CH4 and H2 S+CO2+CH4 mixtures Fluid Phase Equilibria. 246: 71-78. DOI: 10.1016/J.Fluid.2006.05.011  0.662
2006 Kamath G, Robinson J, Potoff JJ. Application of TraPPE-UA force field for determination of vapor-liquid equilibria of carboxylate esters Fluid Phase Equilibria. 240: 46-55. DOI: 10.1016/J.Fluid.2005.11.034  0.74
2005 Kamath G, Georgiev G, Potoff JJ. Molecular modeling of phase behavior and microstructure of acetone-chloroform-methanol binary mixtures. The Journal of Physical Chemistry. B. 109: 19463-73. PMID 16853515 DOI: 10.1021/Jp0535238  0.766
2005 Kamath G, Lubna N, Potoff JJ. Effect of partial charge parametrization on the fluid phase behavior of hydrogen sulfide. The Journal of Chemical Physics. 123: 124505. PMID 16392496 DOI: 10.1063/1.2049278  0.712
2005 Lubna N, Kamath G, Potoff JJ, Rai N, Siepmann JI. Transferable potentials for phase equilibria. 8. United-atom description for thiols, sulfides, disulfides, and thiophene. The Journal of Physical Chemistry. B. 109: 24100-7. PMID 16375402 DOI: 10.1021/Jp0549125  0.792
2005 Potoff JJ, Coscione M, Kamath G, Czerwinski L. Molecular modeling of chemical warfare agents Aiche Annual Meeting, Conference Proceedings. 10210.  0.438
2005 Potoff JJ, Lubna N, Kamath G. Extension of the Trappe-Ua force field to thiols, sulfides and disulfides Aiche Annual Meeting, Conference Proceedings. 757.  0.398
2004 Kamath G, Cao F, Potoff JJ. An improved force field for the prediction of the vapor-liquid equilibria for carboxylic acids Journal of Physical Chemistry B. 108: 14130-14136. DOI: 10.1021/Jp048581S  0.764
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