2 citations
2 papers
cond-mat.soft2026★ 2 cited
Routes to the density profile and structural inconsistency
S. M. Tschopp, H. Vahid, J. M. Brader
Classical density functional theory (DFT) is the primary method for investigations of inhomogeneous fluids in external fields. It requires the excess Helmholtz free energy function…
cond-mat.mtrl-sci2026
Predictive models for strain energy in condensed phase reactions
Baptiste Martin, Shukai Yao, Chunyu Li +3
Molecular modeling of thermally activated chemistry in condensed phases is essential to understand polymerization, depolymerization, and other processing steps of molecular materia…