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The last 5 uploaded publications
Biasing a transition state search to locate multiple reaction pathways
Baron Peters, WanZhen Liang, Alexis Bell, Arup K. Chakraborty (2003). Biasing a transition state search to locate multiple reaction pathways. , 118(21), DOI: https://doi.org/10.1063/1.1569906.
Article47 days agoFast methods for resumming matrix polynomials and Chebyshev matrix polynomials
WanZhen Liang, Roi Baer, Chandra Saravanan, Yihan Shao, Alexis Bell, Martin Head‐Gordon (2003). Fast methods for resumming matrix polynomials and Chebyshev matrix polynomials. , 194(2), DOI: https://doi.org/10.1016/j.jcp.2003.08.027.
Article47 days agoImproved Fermi operator expansion methods for fast electronic structure calculations
WanZhen Liang, Chandra Saravanan, Yihan Shao, Roi Baer, Alexis Bell, Martin Head‐Gordon (2003). Improved Fermi operator expansion methods for fast electronic structure calculations. , 119(8), DOI: https://doi.org/10.1063/1.1590632.
Article47 days agoFast evaluation of a linear number of local exchange matrices
WanZhen Liang, Yihan Shao, Christian Ochsenfeld, Alexis Bell, Martin Head‐Gordon (2002). Fast evaluation of a linear number of local exchange matrices. , 358(1-2), DOI: https://doi.org/10.1016/s0009-2614(02)00559-6.
Article47 days agoAdvances in methods and algorithms in a modern quantum chemistry program package
Yihan Shao, Laszlo Fusti Molnar, Yousung Jung, Jörg Kußmann, Christian Ochsenfeld, Shawn T. Brown, Andrew T. B. Gilbert, Lyudmila V. Slipchenko, Sergey V. Levchenko, D.P. O'Neill, Robert A. DiStasio, Rohini C. Lochan, Tao Wang, Gregory J. O. Beran, Nicholas A. Besley, John M. Herbert, Ching Yeh Lin, Troy Van Voorhis, Siu Hung Chien, Alexander J. Sodt, Ryan P. Steele, Vitaly A. Rassolov, Paul E. Maslen, Prakashan Korambath, Ross D. Adamson, Brian Austin, Jon Baker, Edward F. C. Byrd, Holger Dachsel, Robert J. Doerksen, Andreas Dreuw, Barry D. Dunietz, Anthony D. Dutoi, Thomas R. Furlani, Steven R. Gwaltney, Andreas Heyden, So Hirata, Chao‐Ping Hsu, Gary S. Kedziora, Rustam Z. Khalliulin, Phil Klunzinger, Aaron M. Lee, Michael S. Lee, WanZhen Liang, Itay Lotan, Nikhil U. Nair, Baron Peters, Emil Proynov, Piotr A. Pieniazek, Young Min Rhee, Jim Ritchie, Edina Rosta, C. David Sherrill, Andrew C. Simmonett, Joseph E. Subotnik, H. Lee Woodcock, Wei-Min Zhang, Alexis Bell, Arup K. Chakraborty, Daniel M. Chipman, Frerich J. Keil, Arieh Warshel, Warren J. Hehre, Henry F. Schaefer, Jing Kong, Anna I. Krylov, Peter M. W. Gill, Martin Head‐Gordon (2006). Advances in methods and algorithms in a modern quantum chemistry program package. , 8(27), DOI: https://doi.org/10.1039/b517914a.
Article47 days ago