Chemistry | Computational Chemistry | Physical Chemistry Unveiling the Role of Solvent in Solution Phase Chemical Reactions using Deep Potential-Based Enhanced Sampling Simulations. September 23, 2024
Education | Physical Chemistry | Research Physical Chemistry Education and Research in an Open-Sourced Future. July 29, 2024
Computational Chemistry | Machine Learning | Physical Chemistry Many-body interactions and deep neural network potentials for water. April 8, 2024
Materials Chemistry | Physical Chemistry | Theoretical and Computational Chemistry Machine learning in computational chemistry: interplay between (non)linearity, basis sets, and dimensionality. December 23, 2022