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Kendra Letchworth-Weaver
Kendra Letchworth-Weaver
Assistant Professor, James Madison University
Verified email at jmu.edu
Title
Cited by
Cited by
Year
Implicit solvation model for density-functional study of nanocrystal surfaces and reaction pathways
K Mathew, R Sundararaman, K Letchworth-Weaver, TA Arias, RG Hennig
The Journal of chemical physics 140 (8), 2014
19522014
Joint density functional theory of the electrode-electrolyte interface: Application to fixed electrode potentials, interfacial capacitances, and potentials of zero charge
K Letchworth-Weaver, TA Arias
Physical Review B 86 (7), 075140, 2012
3242012
JDFTx: Software for joint density-functional theory
R Sundararaman, K Letchworth-Weaver, KA Schwarz, D Gunceler, ...
SoftwareX 6, 278-284, 2017
3142017
The importance of nonlinear fluid response in joint density-functional theory studies of battery systems
D Gunceler, K Letchworth-Weaver, R Sundararaman, KA Schwarz, ...
Modelling and Simulation in Materials Science and Engineering 21 (7), 074005, 2013
2212013
Rapid and accurate calculation of the Voigt function
KL Letchworth, DC Benner
Journal of Quantitative Spectroscopy and Radiative Transfer 107 (1), 173-192, 2007
1492007
Structure of the Photo-catalytically Active Surface of SrTiO3
M Plaza, X Huang, JYP Ko, M Shen, BH Simpson, J Rodríguez-López, ...
Journal of the American Chemical Society 138 (25), 7816-7819, 2016
802016
Spicing up continuum solvation models with SaLSA: The spherically averaged liquid susceptibility ansatz
R Sundararaman, KA Schwarz, K Letchworth-Weaver, TA Arias
The Journal of Chemical Physics 142 (5), 2015
662015
Improving accuracy of electrochemical capacitance and solvation energetics in first-principles calculations
R Sundararaman, K Letchworth-Weaver, KA Schwarz
The Journal of chemical physics 148 (14), 2018
482018
A computationally efficacious free-energy functional for studies of inhomogeneous liquid water
R Sundararaman, K Letchworth-Weaver, TA Arias
The Journal of chemical physics 137 (4), 2012
412012
A recipe for free-energy functionals of polarizable molecular fluids
R Sundararaman, K Letchworth-Weaver, TA Arias
The Journal of chemical physics 140 (14), 2014
272014
JDFTx
R Sundararaman, D Gunceler, K Letchworth-Weaver, TA Arias
Available at jdftx. org, 2012
272012
Framework for solvation in quantum Monte Carlo
KA Schwarz, R Sundararaman, K Letchworth-Weaver, TA Arias, ...
Physical Review B 85 (20), 201102, 2012
232012
How heteroepitaxy occurs on strontium titanate
S Cook, K Letchworth-Weaver, IC Tung, TK Andersen, H Hong, LD Marks, ...
Science advances 5 (4), eaav0764, 2019
222019
Controlling Interfacial Properties of Lithium‐Ion Battery Cathodes with Alkylphosphonate Self‐Assembled Monolayers
BG Nicolau, A Petronico, K Letchworth‐Weaver, Y Ghadar, RT Haasch, ...
Advanced Materials Interfaces 5 (10), 1701292, 2018
222018
Validating first-principles molecular dynamics calculations of oxide/water interfaces with x-ray reflectivity data
KJ Harmon, K Letchworth-Weaver, AP Gaiduk, F Giberti, F Gygi, ...
Physical Review Materials 4 (11), 113805, 2020
142020
Nonlinear solvation models: Dendrite suppression on lithium surfaces
D Gunceler, KA Schwarz, R Sundararaman, K Letchworth-Weaver, ...
16th International Workshop on Computation Physics and Materials Science …, 2013
62013
Effect of undercoordinated Ag (111) defect sites on the adsorption of ethanol
DA Schlosser, D Yehorova, H Kaleem, EM Maxwell, JS Baker, MZ Gillum, ...
Journal of Vacuum Science & Technology A 38 (3), 2020
22020
Microscopically Detailed Joint Density-Functional Theory for the Electrode-Electrolyte Interface
K Letchworth Weaver
22016
Optimization of the speed dependent line shape calculation
K Letchworth
College of William and Mary, 2007
22007
First principles free-energy theory of solvation with atomic scale liquid structure
K Letchworth-Weaver, R Sundararaman, TA Arias
arXiv preprint arXiv:1710.05005, 2017
12017
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Articles 1–20