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physics.comp-ph2026
Machine Learning Hamiltonians are Accurate Energy-Force Predictors
Seongsu Kim, Chanhui Lee, Yoonho Kim +7
Recently, machine learning Hamiltonian (MLH) models have gained traction as fast approximations of electronic structures such as orbitals and electron densities, while also enablin…
physics.comp-ph2026
MADField: Multi-fidelity Amortized Density Field for Adsorption in Nanoporous Materials
Yoonho Kim, Seongsu Kim, Sungsoo Ahn +1
High-throughput computational screening of nanoporous materials for gas storage and separation requires fast and accurate characterization of adsorption equilibrium. Particle-based…