Yihan Shao

Debashree Ghosh, Dmytro Kosenkov, Vitalii Vanovschi, Joanna Flick, Ilya Kaliman, Yihan Shao, Andrew T. B. Gilbert, Anna I. Krylov, Lyudmila V. Slipchenko: Effective fragment potential method in Q-CHEM: A guide for users and developers. Journal of Computational Chemistry 34(12): 1060-1070 (2013)

Robert 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)

Yousung 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)

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

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

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)

Chandra 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)

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)