2 papers
physics.chem-ph2026
Nuclear quantum effects enhance diffusion in supercooled ammonia through accelerated pyramidal inversion
Minwoo Kim, Hido Woo, Taeyong Park +2
In liquid ammonia, an imbalance between available hydrogen-bond donor and acceptor sites limits water-like tetrahedral connectivity, leaving sparse and short-lived associations wit…
physics.chem-ph2026
Density diversity in training data governs thermodynamic transferability of machine learning interatomic potentials
Minwoo Kim, Seungtae Kim, Je-Yeon Jung +2
Machine learning interatomic potentials (MLIPs) offer first-principles accuracy with reduced computational cost, but their transferability across different thermodynamic states rem…