263 citations · 507 across the 9 of their papers we have counts for
3 papers · 1 filter
Size-Dependent Nucleation in Crystal Phase Transition from Machine Learning Metadynamics
Pedro A. Santos-Florez, Howard Yanxon, Byungkyun Kang +2
In this work, we present an efficient framework that combines machine learning potential (MLP) and metadynamics to explore multi-dimensional free energy surfaces for investigating…
En route to high Tc superconductivity via Rb substitution of guest metal atoms in SrB3C3 clathrate
Peiyu Zhang, Xue Li, Xin Yang +3
Recently, a host/guest clathrate SrB3C3 with sp3-bonded boron-carbon framework was synthesized at around 50 GPa. On the basis of electron count, the structure is understood as gues…
High-pressure structural study of a-Mn: solving a three decades-old mystery
Logan K. Magad-Weiss, Adebayo A. Adeleke, Eran Greenberg +3
Manganese, in the a-Mn structure, has been studied using synchrotron powder x-ray diffraction in a diamond anvil cell up to 220 GPa at room temperature combined with density functi…