activity
20062026
most citedImplicit solvation model for density-functional study of nanocrystal surfaces and reaction pathways

3.1k citations · 6.9k across the 71 of their papers we have counts for

collaborators
Showing 2013 · physics.comp-phShow all

1 paper · 2 filters

physics.comp-ph2013★ 46 cited

Efficient classical density-functional theories of rigid-molecular fluids and a simplified free energy functional for liquid water

Ravishankar Sundararaman, T. A. Arias

Classical density-functional theory provides an efficient alternative to molecular dynamics simulations for understanding the equilibrium properties of inhomogeneous fluids. Howeve…