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physics.chem-ph2026
Dielectric Response of Short and Long Range Models of Nonuniform Liquids and Implications for Machine Learned Interatomic Potentials
Atul C. Thakur, Harender S. Dhattarwal, Richard C. Remsing
Dielectric screening of electric fields is modified by interfaces and confinement, and any accurate description of interfacial chemistry necessitates properly modeling the nonunifo…
cond-mat.mtrl-sci2026
Oxygen vacancies beyond the dilute limit in doped CaMnO3 perovskites and implications for screening materials in thermochemical applications
Harender S. Dhattarwal, Colin M. Hylton-Farrington, Ian G. McKendry +2
Thermochemical energy storage (TCES) in oxide perovskites relies on reversible oxygen vacancy formation, and computational high-throughput screening of candidate materials has pred…