☰

Sapna Sarupria, Ph.D. - Publications

Affiliations: 
2009 Rensselaer Polytechnic Institute, Troy, NY, United States 
Area:
Chemical Engineering
Tree Info Similar researchers PubMed Report error

25 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
2020 Lata NN, Zhou J, Hamilton P, Larsen M, Sarupria S, Cantrell W. Multivalent Surface Cations Enhance Heterogeneous Freezing of Water on Muscovite Mica. The Journal of Physical Chemistry Letters. PMID 32955892 DOI: 10.1021/Acs.Jpclett.0C02121  0.42
2019 DeFever RS, Targonski C, Hall SW, Smith MC, Sarupria S. A generalized deep learning approach for local structure identification in molecular simulations. Chemical Science. 10: 7503-7515. PMID 31768235 DOI: 10.1039/C9Sc02097G  0.345
2019 Bodenschatz CJ, Zhang X, Xie T, Arvay J, Sarupria S, Getman RB. Multiscale Sampling of a Heterogeneous Water/Metal Catalyst Interface using Density Functional Theory and Force-Field Molecular Dynamics. Journal of Visualized Experiments : Jove. PMID 31033957 DOI: 10.3791/59284  0.405
2019 Zhang X, DeFever RS, Sarupria S, Getman RB. Free Energies of Catalytic Species Adsorbed to Pt(111) Surfaces under Liquid Solvent Calculated using Classical and Quantum Approaches. Journal of Chemical Information and Modeling. PMID 30821458 DOI: 10.1021/Acs.Jcim.9B00089  0.382
2019 Dasetty S, Meza-Morales PJ, Getman RB, Sarupria S. Simulations of interfacial processes: recent advances in force field development Current Opinion in Chemical Engineering. 23: 138-145. DOI: 10.1016/J.Coche.2019.04.003  0.342
2018 DeFever RS, Sarupria S. Surface chemistry effects on heterogeneous clathrate hydrate nucleation: A molecular dynamics study The Journal of Chemical Thermodynamics. 117: 205-213. DOI: 10.1016/J.Jct.2017.08.021  0.411
2017 DeFever RS, Sarupria S. Nucleation mechanism of clathrate hydrates of water-soluble guest molecules. The Journal of Chemical Physics. 147: 204503. PMID 29195288 DOI: 10.1063/1.4996132  0.443
2017 Glatz B, Sarupria S. Heterogeneous ice nucleation: Interplay of surface properties and their impact on water orientations. Langmuir : the Acs Journal of Surfaces and Colloids. PMID 29020452 DOI: 10.1021/Acs.Langmuir.7B02859  0.338
2017 Xie T, Sarupria S, Getman RB. A DFT and MD study of aqueous-phase dehydrogenation of glycerol on Pt(1 1 1): comparing chemical accuracy versus computational expense in different methods for calculating aqueous-phase system energies Molecular Simulation. 43: 370-378. DOI: 10.1080/08927022.2017.1285403  0.319
2017 Zhang X, Sewell TE, Glatz B, Sarupria S, Getman RB. On the water structure at hydrophobic interfaces and the roles of water on transition-metal catalyzed reactions: A short review Catalysis Today. 285: 57-64. DOI: 10.1016/J.Cattod.2017.02.002  0.408
2016 Glatz B, Sarupria S. The surface charge distribution affects the ice nucleating efficiency of silver iodide. The Journal of Chemical Physics. 145: 211924. PMID 28799343 DOI: 10.1063/1.4966018  0.315
2015 Sengupta B, Gregory WE, Zhu J, Dasetty S, Karakaya M, Brown JM, Rao AM, Barrows JK, Sarupria S, Podila R. Influence of carbon nanomaterial defects on the formation of protein corona. Rsc Advances. 5: 82395-82402. PMID 26877870 DOI: 10.1039/C5Ra15007H  0.366
2015 DeFever RS, Sarupria S. Association of small aromatic molecules with PAMAM dendrimers. Physical Chemistry Chemical Physics : Pccp. 17: 29548-57. PMID 26395843 DOI: 10.1039/C5Cp03717D  0.36
2015 DeFever RS, Geitner NK, Bhattacharya P, Ding F, Ke PC, Sarupria S. PAMAM dendrimers and graphene: materials for removing aromatic contaminants from water. Environmental Science & Technology. 49: 4490-7. PMID 25786141 DOI: 10.1021/Es505518R  0.411
2015 Bodenschatz CJ, Sarupria S, Getman RB. Molecular-level details about liquid H2O interactions with CO and sugar alcohol adsorbates on Pt(111) calculated using density functional theory and molecular dynamics Journal of Physical Chemistry C. 119: 13642-13651. DOI: 10.1021/Acs.Jpcc.5B02333  0.421
2014 Haji-Akbari A, DeFever RS, Sarupria S, Debenedetti PG. Suppression of sub-surface freezing in free-standing thin films of a coarse-grained model of water. Physical Chemistry Chemical Physics : Pccp. 16: 25916-27. PMID 25354427 DOI: 10.1039/C4Cp03948C  0.424
2013 Vembanur S, Patel AJ, Sarupria S, Garde S. On the thermodynamics and kinetics of hydrophobic interactions at interfaces. The Journal of Physical Chemistry. B. 117: 10261-70. PMID 23906438 DOI: 10.1021/Jp4050513  0.674
2012 Sarupria S, Debenedetti PG. Homogeneous Nucleation of Methane Hydrate in Microsecond Molecular Dynamics Simulations. The Journal of Physical Chemistry Letters. 3: 2942-7. PMID 26292230 DOI: 10.1021/Jz3012113  0.398
2011 Sarupria S, Debenedetti PG. Molecular dynamics study of carbon dioxide hydrate dissociation. The Journal of Physical Chemistry. A. 115: 6102-11. PMID 21428428 DOI: 10.1021/Jp110868T  0.403
2010 Sarupria S, Ghosh T, García AE, Garde S. Studying pressure denaturation of a protein by molecular dynamics simulations. Proteins. 78: 1641-51. PMID 20146357 DOI: 10.1002/Prot.22680  0.688
2009 Debenedetti PG, Sarupria S. Chemistry. Hydrate molecular ballet. Science (New York, N.Y.). 326: 1070-1. PMID 19965416 DOI: 10.1126/Science.1183027  0.407
2009 Fennell CJ, Bizjak A, Vlachy V, Dill KA, Sarupria S, Rajamani S, Garde S. Ion pairing in molecular simulations of aqueous alkali halide solutions. The Journal of Physical Chemistry. B. 113: 14837-8. PMID 19807139 DOI: 10.1021/jp908484v  0.671
2009 Sarupria S, Garde S. Quantifying water density fluctuations and compressibility of hydration shells of hydrophobic solutes and proteins. Physical Review Letters. 103: 037803. PMID 19659321 DOI: 10.1103/Physrevlett.103.037803  0.713
2008 Athawale MV, Sarupria S, Garde S. Enthalpy-entropy contributions to salt and osmolyte effects on molecular-scale hydrophobic hydration and interactions. The Journal of Physical Chemistry. B. 112: 5661-70. PMID 18447346 DOI: 10.1021/Jp073485N  0.631
2007 Pereira B, Jain S, Sarupria S, Yang L, Garde S. Pressure dependence of the compressibility of a micelle and a protein: Insights from cavity formation analysis Molecular Physics. 105: 189-199. DOI: 10.1080/00268970601140750  0.659
Show low-probability matches.