2 papers
physics.chem-ph2026
Chemical potentials from structure factors: I. Neutral multi-component mixtures
Roya Savoj, Xiaoyu Wang, Musahid Ahmed +1
The chemical potentials of multi-component mixtures underlie many physical and chemical phenomena, but remain challenging to compute. The S0 method enables the computation of chemi…
cond-mat.mtrl-sci2026
Polarizable atomic multipoles for learning long-range electrostatics
Dongjin Kim, Daniel S. King, Yoonjae Park +4
Long-range electrostatics and polarization remain central obstacles to extending machine learning interatomic potentials (MLIPs) to ionic, polar, and interfacial systems. Here, we…