Year |
Citation |
Score |
2018 |
Sundararaman R, Letchworth-Weaver K, Schwarz KA. Improving accuracy of electrochemical capacitance and solvation energetics in first-principles calculations. The Journal of Chemical Physics. 148: 144105. PMID 29655358 DOI: 10.1063/1.5024219 |
0.652 |
|
2018 |
Nicolau BG, Petronico A, Letchworth-Weaver K, Ghadar Y, Haasch RT, Soares JANT, Rooney RT, Chan MKY, Gewirth AA, Nuzzo RG. Controlling Interfacial Properties of Lithium-Ion Battery Cathodes with Alkylphosphonate Self-Assembled Monolayers Advanced Materials Interfaces. 5: 1701292. DOI: 10.1002/Admi.201701292 |
0.362 |
|
2017 |
Sundararaman R, Letchworth-Weaver K, Schwarz KA, Gunceler D, Ozhabes Y, Arias TA. JDFTx: software for joint density-functional theory. Softwarex. 6: 278-284. PMID 29892692 DOI: 10.1016/J.Softx.2017.10.006 |
0.648 |
|
2017 |
Schwenker E, Sen F, Hills S, Pualauskas T, Sun C, Li L, Kinaci A, Letchworth-Weaver K, Kim M, Klie R, Wen J, Chan MKY. Leveraging First Principles Modeling and Machine Learning for Microscopy Data Inversion Microscopy and Microanalysis. 23: 178-179. DOI: 10.1017/S143192761700157X |
0.65 |
|
2016 |
Plaza M, Huang X, Ko JY, Shen M, Simpson BH, Rodríguez-López J, Ritzert NL, Letchworth-Weaver K, Gunceler D, Schlom DG, Arias TA, Brock JD, Abruña HD. Structure of the photo-catalytically active surface of SrTiO3. Journal of the American Chemical Society. PMID 27281231 DOI: 10.1021/Jacs.6B03338 |
0.625 |
|
2015 |
Sundararaman R, Schwarz KA, Letchworth-Weaver K, Arias TA. Spicing up continuum solvation models with SaLSA: the spherically averaged liquid susceptibility ansatz. The Journal of Chemical Physics. 142: 054102. PMID 25662631 DOI: 10.1063/1.4906828 |
0.729 |
|
2014 |
Sundararaman R, Letchworth-Weaver K, Arias TA. A recipe for free-energy functionals of polarizable molecular fluids. The Journal of Chemical Physics. 140: 144504. PMID 24735302 DOI: 10.1063/1.4870653 |
0.723 |
|
2014 |
Mathew K, Sundararaman R, Letchworth-Weaver K, Arias TA, Hennig RG. Implicit solvation model for density-functional study of nanocrystal surfaces and reaction pathways. The Journal of Chemical Physics. 140: 084106. PMID 24588147 DOI: 10.1063/1.4865107 |
0.728 |
|
2013 |
Gunceler D, Letchworth-Weaver K, Sundararaman R, Schwarz KA, Arias TA. The importance of nonlinear fluid response in joint density-functional theory studies of battery systems Modelling and Simulation in Materials Science and Engineering. 21. DOI: 10.1088/0965-0393/21/7/074005 |
0.722 |
|
2012 |
Sundararaman R, Letchworth-Weaver K, Arias TA. A computationally efficacious free-energy functional for studies of inhomogeneous liquid water. The Journal of Chemical Physics. 137: 044107. PMID 22852597 DOI: 10.1063/1.4737392 |
0.701 |
|
2012 |
Letchworth-Weaver K, Arias TA. Joint density functional theory of the electrode-electrolyte interface: Application to fixed electrode potentials, interfacial capacitances, and potentials of zero charge Physical Review B - Condensed Matter and Materials Physics. 86. DOI: 10.1103/Physrevb.86.075140 |
0.669 |
|
2012 |
Schwarz KA, Sundararaman R, Letchworth-Weaver K, Arias TA, Hennig RG. Framework for solvation in quantum Monte Carlo Physical Review B - Condensed Matter and Materials Physics. 85. DOI: 10.1103/Physrevb.85.201102 |
0.71 |
|
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