EN
Jianming Wu
Physical Chemistry
Associate Professor
jianmingwu@fudan.edu.cn
Room A3025, Chemistry Building, Department of Chemistry, Fudan University 2005 Songhu Road, Yangpu District, Shanghai 200438, China
86-21-31242032
Research Interests
Density functional theory and its numeric correction models
Cheminformatics
Biography
Associate Professor of Fudan University from 2011
Senior Engineer of PCOSS in Xiamen University (2008~2011)
Staff member and Engineer of PCOSS in Xiamen University (1998~2008)
Sep. 2002 to Apr. 2008, Xiamen University, Dr. Sc. degree
Sep. 1995 to Jul. 1998, Xiamen University, M. Sc. degree
Sep. 1991 to Jul. 1995, Xiamen University, B.Sc. degree
Teaching
Physical Chemistry AI
Key Publications
Calculations of Ionization Energies and Electron Affinities for Atoms and Molecules: A Comparative Study with Different Methods Front. Chem. China, 6(4) (2011), 269-279
Theoretical Studies on Thermochemistry for Conversion of 5-Chloromethylfurfural into Valuable Chemicals, J. Phys. Chem. A, 115 (46) (2011), 13628–13641
Accurate Bond Dissociation Enthalpies by Using Doubly Hybrid XYG3 Functional, J. Comput. Chem., 32 (2011), 1824–1838
The X1s Method for Accurate Bond Dissociation Energies, ChemPhysChem, 11(2010), 2561-2567
Extending the reliability and applicability of B3LYP, Chem. Commun., 46(2010), 3057-3070. (Feature Article)
Trends in R-X Bond Dissociation Energies (R• =Me, Et, i-Pr, t-Bu, X• =H, Me, Cl, OH), J. Chem. Theory Comput., 6(5), (2010) 1447-1454
Accurate Prediction of Heats of Formation by a Combined Method of B3LYP and Neural–network Correction, J. Comput. Chem., 30(9), (2009) 1424-1444
Improving the B3LYP bond energies by using the X1 method, J. Chem. Phys., 129(2008) 164103
The X1 method for accurate and efficient prediction of heats of formation, J. Chem. Phys., 127(2007) 214105
