量子化学

eMC
中国科学院计算机网络信息中心

GridMol
中国科学院计算机网络信息中心

ABACUS

中国科学技术大学、中国科学计算机网络信息中心

ORCA
Frank Neese

FHI-aims
Fritz Haber Institute of the Max Planck Society

SIESTA
CIC NanoGune (San Sebastian) and University of Cambridge

Materials Studio
BIOVIA,Inc

XiAn-CI
文振翼，王育彬，索兵兵，翟高红，雷依波等

BDF
刘文剑，黎乐民，王繁，索兵兵，雷依波等

ADF
SCM,Inc

NWChem
EMSL located at the Pacific Northwest National Laboratory (PNNL) in Washington State

Gaussian
Gaussian, Inc

Columbus
H. Lischka, R. Shepard, I. Shavitt, Th. Müller

PySCF

Q. Sun, Sandeep Sharma, Alexander Sokolov, George H. Booth, Wirawan Purwanto, Sheng Guo, Sebastian Wouters, Zhendong Li, Carlos Jimenez-Hoyos, Junzi Liu, G. K.-L. Chan, Timothy Berkelbach, James D. McClain, Nick Blunt, Elvira Sayfutyarova, Jan Hermann, James Smith, Susi Lehtola

DIRAC
T. Saue, L. Visscher, H. J.-A. Jensen, R. Bast, S. Knecht, etc.

MOLCAS
R. Lindh, V. Veryazov, P. Å. Malmqvist, L. Gagliardi, H. Lischka, M. Reiher, S. Vancoillie, T. Müller, I. Fdez. Galván, S. Knecht, D. Ma, D. G. Truhlar, etc.

Q-Chem
Q-Chem, Inc. Board Members: Peter M. W. Gill, John Herbert, Anna Krylov, Hilary Pople, H. Fritz Schaefer III

GAMESS

Prof. Mark Gordon and his group

Molpro
Peter Knowles and Hans-Joachim Werner