2007 |
5 | EE | Marek Freindorf,
Matthew D. Jones,
Yihan Shao,
Jing Kong,
Thomas R. Furlani:
Large-Scale QM/MM Calculations of Electronic Excitations in Yellow Protein: Toward Petascale Level of Protein Calculations.
BIBE 2007: 614-619 |
2006 |
4 | | Marek Freindorf,
Yihan Shao,
Jing Kong,
Thomas R. Furlani:
Combined QM/MM Studies of Binding Effect of Cytochrome P450cam to Putidaredoxin.
BIOCOMP 2006: 391-398 |
2005 |
3 | EE | Marek Freindorf,
Yihan Shao,
Thomas R. Furlani,
Jing Kong:
Lennard-Jones parameters for the combined QM/MM method using the B3LYP/6-31G*/AMBER potential.
Journal of Computational Chemistry 26(12): 1270-1278 (2005) |
2000 |
2 | EE | Jing Kong,
Christopher A. White,
Anna I. Krylov,
David Sherrill,
Ross D. Adamson,
Thomas R. Furlani,
Michael S. Lee,
Aaron M. Lee,
Steven R. Gwaltney,
Terry R. Adams,
Christian Ochsenfeld,
Andrew T. B. Gilbert,
Gary S. Kedziora,
Vitaly A. Rassolov,
David R. Maurice,
Nikhil Nair,
Yihan Shao,
Nicholas A. Besley,
Paul E. Maslen,
Jeremy P. Dombroski,
Holger Daschel,
Weimin Zhang,
Prakashan P. Korambath,
Jon Baker,
Edward F. C. Byrd,
Troy A. Van Voorhis,
Manabu Oumi,
So Hirata,
Chao-Ping Hsu,
Naoto Ishikawa,
Jan Florián,
Arieh Warshel,
Benny G. Johnson,
Peter M. W. Gill,
Martin Head-Gordon,
John A. Pople:
Q-Chem 2.0: a high-performance ab initio electronic structure program package.
Journal of Computational Chemistry 21(16): 1532-1548 (2000) |
1995 |
1 | | Thomas R. Furlani,
Harry F. King:
Implemenation of a Parallel Direct SCF Algorithm on Distributed Memory Computers.
Journal of Computational Chemistry 16(1): 91-104 (1995) |