1 citations · 1 across the 2 of their papers we have counts for
2 papers
physics.comp-ph2026
Structured force reformulation of many-body dispersion: towards effective atom--atom decomposition and surrogate modeling
Zhaoxiang Shen, Raúl I. Sosa, Stéphane P. A. Bordas +2
We present a structured force reformulation of the many-body dispersion (MBD) model that enables a physically consistent decomposition of forces into pairwise components. By introd…
cs.LG2026★ 1 cited
Machine learning surrogate models of many-body dispersion interactions in polymer melts
Zhaoxiang Shen, Raúl I. Sosa, Jakub Lengiewicz +2
Accurate prediction of many-body dispersion (MBD) interactions is essential for understanding the van der Waals forces that govern the behavior of many complex molecular systems. H…