3 papers
cond-mat.mtrl-sci2026
Performance of universal machine learning potentials in global optimization of inorganic crystal structures
Edan T. Marcial, Laxman Chaudhary, Olesya Gorbunova +1
Rapid development of universal machine learning potentials (uMLPs) and expansion of training data sets are reshaping the state of the art in atomistic simulation, highlighting the…
cond-mat.supr-con2024
Stability-superconductivity map for compressed Na-intercalated graphite
Shashi B. Mishra, Edan T. Marcial, Suryakanti Debata +2
A recent ab initio investigation of Na-C binary compounds under moderate pressures has uncovered a possible stable NaC superconductor with an estimated critical temperature up…
cond-mat.supr-con2024
Prospect of high-temperature superconductivity in layered metal borocarbides
Charlsey R. Tomassetti, Gyanu P. Kafle, Edan T. Marcial +2
Delithiation of the known layered LiBC compound was predicted to induce conventional superconductivity at liquid nitrogen temperatures but extensive experimental work over the past…