Hybrid Unsupervised/Supervised Machine Learning for Identifying Molecular Structural Fingerprints From Ensemble Property

von Choudhury, Arpan
Veröffentlicht in: Journal of computational chemistry (2025)

An interaction energy driven biased sampling technique A faster route to ionization spectra in condensed phase

von Bose, Samik
Veröffentlicht in: Journal of computational chemistry (2017)

Effect of solvation on the ionization of guanine nucleotide A hybrid QM/EFP study

von Chakraborty, Rahul
Veröffentlicht in: Journal of computational chemistry (2017)

Effective fragment potential method in Q-CHEM a guide for users and developers

von Ghosh, Debashree
Veröffentlicht in: Journal of computational chemistry (2013)