Temperature-independent emission in a [(CH3)3NPh]2MnBr4 single crystal analogous to thermally activated delayed fluorescence

A Sparse Bayesian Committee Machine Potential for Oxygen-containing Organic Compounds

Machine Learning Nonadiabatic Dynamics: Eliminating Phase Freedom of Nonadiabatic Couplings with the State-Interaction State-Averaged Spin-Restricted Ensemble-Referenced Kohn-Sham Approach (in press)

Back-End-of-Line-Compatible Passivation of Sulfur Vacancies in MoS2 Transistors Using Electron Withdrawing Benzenethiol (in press)

Sparse Gaussian Process Based Machine Learning First Principles Potential for Materials Simulations: Application to Batteries, Solar Cells, Catalysts, and Macromolecular Systems

Machine Learning Nonadiabatic Dynamics: Eliminating Phase Freedom of Nonadiabatic Couplings with the State-Intraction State-Averaged Spin-Restricted Ensemble-Referenced Kohn-Sham Approach

Active Sparse Bayesian Committee Machine Potential for Isothermal-Isobaric Molecular Dynamics Simulations

Exploring Direct Electrochemical Fischer–Tropsch Chemistry of C1–C7 Hydrocarbons via Perimeter Engineering of Au–SrTiO3 Catalyst

Electrochemical Fisher-Tropsch chemistry across transition metals: a paradigm shift in sustainable liquid fuel production

Going for Gold(-Standard): Attaining Coupled Cluster Accuracy in Oxide-Supported Nanoclusters