Presentation Information
[D-247P]Free energy calculations of liquid metals from Widom insertion: sampling errors and finite-size effects
○Taizo Shibuya1, Viktor Zaverkin2, Yuta Yahagi1, Francesco Alesiani3 (1. NEC Corporation, 2. Leibniz Institute for New Materials, 3. NEC Laboratories Europe)
Keywords:
Machine-learned interatomic potential,Widom insertion,Error analysis