SHIOZAKI.NORTHWESTERN.EDU
Shiozaki GroupShiozaki Group - Department of Chemistry, Northwestern University
http://shiozaki.northwestern.edu/
Shiozaki Group - Department of Chemistry, Northwestern University
http://shiozaki.northwestern.edu/
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Shiozaki Group | shiozaki.northwestern.edu Reviews
https://shiozaki.northwestern.edu
Shiozaki Group - Department of Chemistry, Northwestern University
shiozaki.northwestern.edu
Shiozaki Group :: Publications
http://www.shiozaki.northwestern.edu/publications.php
Shiozaki Group : Publications. Ldquo;Analytical derivative coupling for multistate CASPT2 theory”. 5–12 (2017), special issue,. Ldquo;An efficient solver for large structured eigenvalue problems in relativistic quantum chemistry”. And T Yanai,. Journal of Chemical Theory and Computation. 4347–4351 (2016),. Ldquo;Hyperfine coupling constants from internally contracted multireference perturbation theory”. Journal of Chemical Theory and Computation. 3781–3787 (2016),. And W Mizukami,. 4733–4739 (2015),.
Shiozaki Group :: BAGEL
http://www.shiozaki.northwestern.edu/bagel.php
Shiozaki Group : BAGEL. BAGEL — Freshly leavened quantum chemistry. Brilliantly Advanced General Electronic-structure Library! The source code is openly available on github. See also other software. Developed in our group. We acknowledge the generous support from:. BAGEL as a Program Package. At this point, BAGEL implements following methods for energy and analytical gradients using density fitting. With components such as. Integral routines (ERI; gradients; various 1-e integrals; F12/Yukawa),. As of Dec...
Shiozaki Group :: Group Photos
http://www.shiozaki.northwestern.edu/photos.php
Shiozaki Group : Group Photos. Last modified: Feb. 12, 2017.
Shiozaki Group :: Hardware
http://www.shiozaki.northwestern.edu/hardware.php
Shiozaki Group : Hardware. Our program developments and applications are performed on our 1024-core computer cluster, whose configurations are. 64 compute nodes in a single rack;. 2 CPUs (Xeon E5-2650) per node. 16 physical cores, 32 threads;. 64GB RAM per node, 1600MHz;. 2TB scratch area per node (two 1TB 7200rpm);. One 108-port InfiniBand QDR Switch. The head node has the same configuration, except for larger disk space. Last modified: Mar. 22, 2015.
Shiozaki Group :: People
http://www.shiozaki.northwestern.edu/people.php
Shiozaki Group : People. PhD, University of Tokyo. PhD, Comenius University. BS, NU Singapore. BS, Michigan State. MS, National Taiwan Univ. BS, Fudan University. Former members and their current affiliations (academic institutions only). University of California, San Diego. Jefferson E. Bates. Shane M. Parker. University of California, Irvine. Matthew K. MacLeod. Matthew S. Kelley. Last modified: Mar. 3, 2017.
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Shiozaki Group
Our goal is to understand and predict chemical processes in molecules and materials by developing innovative electronic structure theories. That describe complicated motions of electrons. Motivated students and post-docs, who are interested in advancing theoretical chemistry in a stimulating environment, are always welcome to contact Toru. See more. Last modified: Aug. 5, 2015.
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