Brian Austin

Brian Austin , Ph.D.

Advanced Technology Group, National Energy Research Scientific Computing Center

BAustin@lbl.gov

Phone: +1 510 486 6702 (OSF) | 510 642 7533 (Bldg. 71A),

Lawrence Berkeley National Laboratory

1 Cyclotron Road

Mail Stop 943-256

Berkeley, CA 94720 US

Biographical Sketch

Brian Austin is a staff member of the Advanced Technologies Group (ATG) in computational research at Berkeley Lab. Prior to joining ATG, Brian was a Petascale postdoctoral fellow at NERSC. He has earned a Ph.D. in Chemistry from the University of California, Berkeley, and a B.A. in Liberal Arts from Reed College in Portland, Oregon. Brian is also the primary developer of Zori, an open source software package for quantum Monte Carlo.

» Current Research

Journal Articles

D.Y. Zubarev, B.M. Austin, W.A. Lester Jr, “Practical Aspects of Quantum Monte Carlo for the Electronic Structure of Molecules”, Practical Aspects of Computational Chemistry I: An Overview of the Last Two Decades and Current Trends, January 1, 2012, 255,

D.Y. Zubarev, B.M. Austin, W.A. Lester Jr, “Quantum Monte Carlo for the x-ray absorption spectrum of pyrrole at the nitrogen K-edge”, The Journal of chemical physics, January 1, 2012, 136:144301,

Erin LeDell, Prabhat, Dmitry Yu Zubarev, Brian Austin, Jr. William A. Lester, “Classification of Nodal Pockets in Many-Electron Wave Functions via Machine Learning”, accepted, Journal of Mathematical Chemistry, January 1, 2012,

B.M. Austin, D.Y. Zubarev, WA Lester, “Quantum Monte Carlo and Related Approaches.”, Chemical Reviews, January 1, 2011,

Jinhua Wang, Dominik Domin, Brian Austin, Dmitry Yu, Jarrod McClean, Michael Frenklach, Tian Cui, Jr. Lester, “A Diffusion Monte Carlo Study of the O-H Bond Dissociation of Phenol”, J. Phys. Chem. A, January 1, 2010, 114:9832,

Naoto Umezawa, Brian Austin, “Self-interaction-free nonlocal correlation energy functional associated with a Jastrow function”, Bulletin of the American Physical Society, January 1, 2010, 55,

Alex Sodt, Greg J. O. Beran, Yousung Jung, Brian Austin, Martin Head-Gordon, “A Fast Implementation of Perfect Pairing and Imperfect Pairing Using the Resolution of the Identity Approximation”, Journal of Chemical Theory and Computation, January 1, 2006, 2:300-305,

Gregory J. O. Beran, Brian Austin, Alex Sodt, Martin Head-Gordon, “Unrestricted Perfect Pairing: The Simplest Wave-Function-Based Model Chemistry beyond Mean Field”, The Journal of Physical Chemistry A, January 1, 2005, 109:9183,

A. Aspuru--Guzik, R. Salom\ on--Ferrer, B. Austin, R. Perusqu\ \ia--Flores, M.A. Griffin, R.A. Oliva, D. Skinner, D. Domin, W.A. Lester Jr, “Zori 1.0: A parallel quantum Monte Carlo electronic structure package”, Journal of Computational Chemistry, January 1, 2005, 26:856--862,

A. Aspuru-Guzik, R. Salomon-Ferrer, B. Austin, Jr. Lester, “A sparse algorithm for the evaluation of the local energy in quantum Monte Carlo”, J. Comp. Chem., January 1, 2005, 26:708,

Conference Papers

J.N. Corlett, B. Austin, K.M. Baptiste, J.M. Byrd, P. Denes, R. Donahue, L. Doolittle, R.W. Falcone, D. Filippetto, S. Fournier, D. Li, H.A. Padmore, C. Papadopoulos, C. Pappas, G. Penn, M. Placidi, S. Prestemon, D. Prosnitz, J. Qiang, A. Ratti, M. Reinsch, F. Sannibale, R. Schlueter, R.W. Schoenlein, J.W. Staples, T. Vecchione, M. Venturini, R. Wells, R. Wilcox, J. Wurtele, A. Charman, E. Kur, A.A. Zholents, “A Next Generation Light Source Facility at LBNL”, PAC 11 Conference Proceedings, January 1, 2011,

J. Chou, M. Howison, B. Austin, K. Wu, J. Qiang, E. Bethel, A. Shoshani, O. R\ ubel, R.D. Ryne, others, “Parallel index and query for large scale data analysis”, Proceedings of 2011 International Conference for High Performance Computing, Networking, Storage and Analysis, January 1, 2011, 30,

B. Austin, A. Aspuru-Guzik, R. Salomon-Ferrer, Jr. W.A. Lester, “Linear-Scaling Evaluation of the Local Energy in Quantum Monte Carlo”, Advances in Quantum Monte Carlo, American Chemical Society, January 1, 2006,

Presentation/Talks

Naoto Umezawa, Brian Austin, Jr William A. Lester, Effective one-body potential fitted for many-body interactions associated with a Jastrow function: application to the quantum Monte Carlo calculations, Bulletin of the American Physical Society, January 1, 2009,

Thesis/Dissertations

Enhancing the quantum Monte Carlo method for electronic properties of large molecules and excited states, Brian Austin, January 1, 2009,

Posters

Brian Austin, Ji Qiang, Jonathan Wurtele, Alice Koniges, “Influences of architecture and threading on the MPI communication strategies in an accelerator simulation code.”, SciDAC 2011, Denver, CO, January 1, 2011,

Matthias Reinsch, Brian Austin, John Corlett, Lawrence Doolittle, Gregory Penn, Donald Prosnitz, Ji Qiang, Andrew Sessler, Marco Menturini, Jonathan Wurtele, “System Trade Analysis for an FEL Facility”, Free Electron Laser Conference FEL 2011, Shanghai, China, January 1, 2011,

William A. Lester Brian Austin, “Fixed-Node Correlation Function Diffusion Monte Carlo: an approach to Fermi excited states”, Bulletin of the American Physical Society, January 1, 2010,