405 citations · 405 across the 2 of their papers we have counts for
2 papers
physics.chem-ph2017
First Principles Free-Energy Theory of Solvation with Atomic Scale Liquid Structure
Kendra Letchworth-Weaver, Ravishankar Sundararaman, T. A. Arias
Quantum-chemical processes in liquid environments impact broad areas of science, from molecular biology to geology to electrochemistry. While density-functional theory (DFT) has en…
cond-mat.mtrl-sci2017★ 405 cited
JDFTx: software for joint density-functional theory
Ravishankar Sundararaman, Kendra Letchworth-Weaver, Kathleen A. Schwarz +3
Density-functional theory (DFT) has revolutionized computational prediction of atomic-scale properties from first principles in physics, chemistry and materials science. Continuing…