Training machine learning potentials for reactive systems A Colab tutorial on basic models

von Pan, Xiaoliang
Veröffentlicht in: Journal of computational chemistry (2024)

Visualization of Electron Density Changes Along Chemical Reaction Pathways

von Lander, Chance
Veröffentlicht in: Molecular physics (2023)

Computational Investigation of Substituent Effects on the Fluorescence Wavelengths of Oxyluciferin Analogs

von Satalkar, Vardhan
Veröffentlicht in: Journal of photochemistry and photobiology. A, Chemistry (2022)