3 papers
physics.comp-ph2021
A2I Transformer: Permutation-equivariant attention network for pairwise and many-body interactions with minimal featurization
Ji Woong Yu, Min Young Ha, Bumjoon Seo +1
The combination of neural network potential (NNP) with molecular simulations plays an important role in an efficient and thorough understanding of a molecular system's potential en…
cond-mat.stat-mech2019
Topological extension of the isomorph theory based on the Shannon entropy
Tae Jun Yoon, Min Young Ha, Emanuel A. Lazar +2
Isomorph theory is one of the promising theories to understand the quasi-universal relationship between thermodynamic, dynamic and structural characteristics. Based on the hidden s…
cond-mat.stat-mech2018
Topological Characterization of Rigid-Nonrigid Transition across the Frenkel Line
Tae Jun Yoon, Min Young Ha, Emanuel A. Lazar +2
The dynamics of supercritical fluids, a state of matter beyond the gas-liquid critical point, changes from diffusive to oscillatory motions at high pressure. This transition is bel…