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Yihan Shao

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2007
7EEMarek 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
6EEYousung Jung, Yihan Shao, Martin Head-Gordon: Fast evaluation of scaled opposite spin second-order Møller-Plesset correlation energies using auxiliary basis expansions and exploiting sparsity. Journal of Computational Chemistry 28(12): 1953-1964 (2007)
5EERobert A. Distasio Jr., Ryan P. Steele, Young Min Rhee, Yihan Shao, Martin Head-Gordon: An improved algorithm for analytical gradient evaluation in resolution-of-the-identity second-order Møller-Plesset perturbation theory: Application to alanine tetrapeptide conformational analysis. Journal of Computational Chemistry 28(5): 839-856 (2007)
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
3EEMarek 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)
2003
2EEChandra Saravanan, Yihan Shao, Roi Baer, Philip N. Ross, Martin Head-Gordon: Sparse matrix multiplications for linear scaling electronic structure calculations in an atom-centered basis set using multiatom blocks. Journal of Computational Chemistry 24(5): 618-622 (2003)
2000
1EEJing 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)

Coauthor Index

1Terry R. Adams [1]
2Ross D. Adamson [1]
3Roi Baer [2]
4Jon Baker [1]
5Nicholas A. Besley [1]
6Edward F. C. Byrd [1]
7Holger Daschel [1]
8Robert A. Distasio Jr. [5]
9Jeremy P. Dombroski [1]
10Jan Florián [1]
11Marek Freindorf [3] [4] [7]
12Thomas R. Furlani [1] [3] [4] [7]
13Andrew T. B. Gilbert [1]
14Peter M. W. Gill [1]
15Steven R. Gwaltney [1]
16Martin Head-Gordon [1] [2] [5] [6]
17So Hirata [1]
18Chao-Ping Hsu [1]
19Naoto Ishikawa [1]
20Benny G. Johnson [1]
21Matthew D. Jones [7]
22Yousung Jung [6]
23Gary S. Kedziora [1]
24Jing Kong [1] [3] [4] [7]
25Prakashan P. Korambath [1]
26Anna I. Krylov [1]
27Aaron M. Lee [1]
28Michael S. Lee [1]
29Paul E. Maslen [1]
30David R. Maurice [1]
31Nikhil Nair [1]
32Christian Ochsenfeld [1]
33Manabu Oumi [1]
34John A. Pople [1]
35Vitaly A. Rassolov [1]
36Young Min Rhee [5]
37Philip N. Ross [2]
38Chandra Saravanan [2]
39David Sherrill [1]
40Ryan P. Steele [5]
41Troy A. Van Voorhis [1]
42Arieh Warshel [1]
43Christopher A. White [1]
44Weimin Zhang [1]

Copyright © Sun May 17 03:24:02 2009 by Michael Ley (ley@uni-trier.de)