Area of research
Materials Chemistry · Electrical and Electronic Engineering
Research interest
Research interests include Materials science, Chemistry, Computer science, Electrolyte, Artificial neural network, and Electrochemistry.
A practical guide to machine learning interatomic potentials – Status and future
Atomic insights into the oxidative degradation mechanisms of sulfide solid electrolytes
Highly Antioxidative Lithium Salt Enables High-Voltage Ether Electrolyte for Lithium Metal Battery
ænet-PyTorch: A GPU-supported implementation for machine learning atomic potentials training
Simulated sulfur K-edge X-ray absorption spectroscopy database of lithium thiophosphate solid electrolytes
Mixed hydride-electronic conductivity in Rb2CaH4 and Cs2CaH4
Ultrafast X-ray imaging of the light-induced phase transition in VO2
Artificial Intelligence-Aided Mapping of the Structure–Composition–Conductivity Relationships of Glass–Ceramic Lithium Thiophosphate Electrolytes
Understanding the Onset of Surface Degradation in LiNiO<sub>2</sub> Cathodes
Machine learning prediction and experimental verification of Pt-modified nitride catalysts for ethanol reforming with reduced precious metal loading
AENET–LAMMPS and AENET–TINKER: Interfaces for accurate and efficient molecular dynamics simulations with machine learning potentials
Augmenting zero-Kelvin quantum mechanics with machine learning for the prediction of chemical reactions at high temperatures
Electronic-Structure Origin of Cation Disorder in Transition-Metal Oxides
An implementation of artificial neural-network potentials for atomistic materials simulations: Performance for TiO2
Elucidating the Nature of the Active Phase in Copper/Ceria Catalysts for CO Oxidation
Grand canonical molecular dynamics simulations of Cu–Au nanoalloys in thermal equilibrium using reactive ANN potentials
Understanding the Composition and Activity of Electrocatalytic Nanoalloys in Aqueous Solvents: A Combination of DFT and Accurate Neural Network Potentials