First-principles calculation, MBenes, oxygen reduction reaction, oxygen evolution reaction, Electrocatalysis
Phase-change memory, displacive transformation, antimony telluride, molecular dynamics.
Machine learning interatomic potentials, molecular dynamics, phase change materials, antimony telluride, crystallization
Machine learning, photocatalysis water splitting, High-throughput screening, ultrahigh light-absorption, temperature effect
Single-cluster catalysts, Electrochemical NO reduction reaction, First-principles calculations, Constant-potential method
High entropy alloys, stacking fault energy, Machine learning, symbolic regression, machine learning force fields
Machine-Learned Interatomic Potential, Analytical Gradient, Gradient Descent, Neuroevolution Potential
