Yi Pei Li

Yi Pei Li

National Taiwan University - Taipei / Taiwan
Engineering & Technology / Computer Science
AD Scientific Index ID: 435407
國立台灣大學
person_outline Yi Pei Li's MOST POPULAR ARTICLES
1-) Software for the frontiers of quantum chemistry: An overview of developments in the Q-Chem 5 packageE Epifanovsky, ATB Gilbert, X Feng, J Lee, Y Mao, N Mardirossian, ...The Journal of chemical physics 155 (8), 084801, 20212282021
2-) Evaluating scalable uncertainty estimation methods for deep learning-based molecular property predictionG Scalia, CA Grambow, B Pernici, YP Li, WH GreenJournal of chemical information and modeling 60 (6), 2697-2717, 20201732020
3-) Improved Force-Field Parameters for QM/MM Simulations of the Energies of Adsorption for Molecules in Zeolites and a Free Rotor Correction to the Rigid Rotor Harmonic Oscillator …YP Li, J Gomes, S Mallikarjun Sharada, AT Bell, M Head-GordonThe Journal of Physical Chemistry C 119 (4), 1840–1850, 20151742015
4-) Analysis of the reaction mechanism and catalytic activity of metal-substituted beta zeolite for the isomerization of glucose to fructoseYP Li, M Head-Gordon, AT BellAcs Catalysis 4 (5), 1537-1545, 20141792014
5-) Unimolecular reaction pathways of a γ-ketohydroperoxide from combined application of automated reaction discovery methodsCA Grambow, A Jamal, YP Li, WH Green, J Zádor, YV SuleimanovJournal of the American Chemical Society 140 (3), 1035-1048, 20181092018