Deputy Associate Director, Computing Directorate
Chief Computational Scientist, Lawrence Livermore National Laboratory

Fred Streitz is Chief Computational Scientist at Lawrence Livermore National Lab (LLNL) and Deputy Associate Director for Strategic Partnerships in the Computing Directorate.

From 2019 - 2023,  Fred was on temporary assignment in Washington, DC, where he served as a Senior Advisor at the newly-formed Center for Forecasting and Outbreak Analytics (CFA) in the Centers for Disease Control and Prevention (CDC), and as Science Advisor in the newly-created Artificial Intelligence and Technology Office in the Department of Energy (DOE). Additionally, he was a member of the White House National AI Research Resource Task Force (NAIRR-TF). During the pandemic, Fred was  DOE liaison to the Data Strategy & Execution Working Group in White House COVID-19 Task Force, a position he held until his return.

Before his assignments in Washington, Dr. Streitz held a number of technical leadership roles at LLNL– most recently as the founding Director of the High Performance Computing Innovation Center (HPCIC) and as Director of the Institute for Scientific Computing Research (ISCR).

Fred is a member of the Scientific Advisory Council for Forschungszentrum Jülich in Germany, the Advisory Council at the RIKEN Center for Computational Science (CCS) in Japan, and the Steering Committee for the Institute for Advanced Computational Science at Harvard University. He is a Subject Editor for the International Journal of High Performance Computing Applications and an Adjunct Professor in the Biochemistry and Molecular and Cellular Biology Department at Georgetown University.

Dr. Streitz is a Fellow of the American Physical Society, a two-time recipient of the IEEE Gordon Bell Prize for outstanding achievement in high performance computing, and has been recognized with three awards from the US Secretary of Energy. Prior to joining LLNL as a computational physicist in 1999, he was an assistant professor in the Physics Department at Auburn University and a National Research Council Fellow at the Naval Research Laboratory.  Fred earned his Ph.D. in Physics from the Johns Hopkins University in Baltimore, Maryland and his B.S. in Physics from Harvey Mudd College in Claremont, California.

 

Ph.D. Physics, The Johns Hopkins University, Baltimore, Maryland

B.S. Physics, Harvey Mudd College, Claremont, California

Bhatia, H., et al., “The confluence of machine learning and multiscale simulations,” Curr. Opinion in Struct. Biol. 80, 102569 (2023)

Ingólfsson, H., et al., “Machine Learning-Driven Multiscale Modeling: Bridging the Scales with a Next-Generation Simulation Infrastructure,” J. Chem. Theor. Comput. 19, 2658 (2023)

Nguyen, K., et al., “Exploring CRD mobility during RAS/RAF engagement at the membrane,” Biophysical Jour. 121, 3630 (2022)

López, C.A., et al., “Asynchronous reciprocal coupling of Martini 2.2 coarse-grained and CHARMM36 all-atom simulations in an automated multiscale framework,” J. Chem. Theory Comput., 18, 5025 (2022)

Thiagarajan, JJ, et al., “Machine learning-powered mitigation policy optimization in epidemiological models,” Workshop on Healthcare AI and COVID-19, Proceedings of Machine Learning Research 184, 63 (2022)

Anirudh, R. et al., “Accurate calibration of agent-based epidemiological models with neural network surrogates,” Workshop on Healthcare AI and COVID-19, Proceedings of Machine Learning Research 184, 54 (2022)

Ingólfsson, H., et al., “Machine learning-driven multiscale modeling reveals lipid-dependent dynamics of RAS signaling proteins,” Proc. Nat. Acad. Sciences, 119, 1, (2022)

Zhang, X. et al., “ddcMD: A fully GPU-accelerated molecular dynamics program for the Martini force field,” J. Chem Phys., 153, 4, 045103 (2020)

Bhattacharya, T. et al., “AI Meets Exascale Computing: Advancing Cancer Research With Large-Scale High Performance Computing,” Frontiers in Oncology, 9, 984, (2019)

F. Di Natale et al., “A massively parallel infrastructure for adaptive multiscale simulations: modeling RAS initiation pathway for cancer,” Proceedings of the International Conference for High Performance Computing, Networking, Storage and Analysis (SC19), 1, (2019)

A. G. Stephen et al., “Identification of KRAS membrane bound states using an integrated computational and experimental approach,” Cancer Research, 79, 3373 (2019)

T. Bhattacharya et al., “AI Meets Exascale Computing: Advancing Cancer Research with Large-Scale High Performance Computing,” Frontiers in Oncology, 9, (2019)

Bailey, A. M. et al., “Blue Gene/Q: Sequoia and Mira,” in Contemporary High Performance Computing (Chapman and Hall/CRC, 2013)

R. Minich, F.H. Streitz, R. Chau, D. Orlikowski, “Particle Velocity Fluctuations and Pressure Induced Phase Transitions in Bismuth,” 18th Biennial Intl. Conference of the APS Topical Group on Shock Compression of Condensed Matter, July 7–12, 2013; Seattle, Washington, Bulletin of the American Physical Society, 58, 7 (2013)

B. Carnes et al., “Science at LLNL with IBM Blue Gene/Q,” IBM Journal of Research and Development 57, 11:1 (2013)

F. Graziani et al., “Large-scale molecular dynamics simulations of dense plasmas: The Cimarron Project,” High Energy Density Physics, 8, 105 (2012)

R.E. Rudd et al., “Self-diffusivity and inter-diffusivity of molten aluminum-copper alloys under pressure, derived from molecular dynamics,” Phys. Rev. E 85, 031202 (2012)

J. Dongarra et. al., "The International Exascale Software Project Roadmap," International Journal of High Performance Computing Applications 25, 3 (2011)

S. Ashby et al., “The Opportunities and Challenges of Exascale Computing,” Summary Report of the Advanced Scientific Computing Advisory (ASCAC) Subcommitee, US Department of Energy (2010)

L. X. Benedict et al., “Molecular Dynamics Simulations of Electron-Ion Temperature Equilibration in an SF₆ Plasma,” Phys. Rev. Lett. 102, 205004 (2009)

J. N. Glosli, F. R. Graziani, R. M. More, M. S. Murillo, F. H. Streitz, M. P. Surh,  “Molecular Dynamics Simulation with radiation,” J. Phys A. 42, 214030 (2009)

B.R. de Supinski et al., “BlueGene/L applications: Parallelism On a Massive Scale,” International Journal of High Performance Computing Applications, 22, 33-51 (2008)

J. N. Glosli et al., “Molecular Dynamics Simulations of Temperature Equilibration in Dense Hydrogen,” Phys. Rev. E 78, 025401 (2008)

J. N. Glosli, K. J. Caspersen, J. A. Gunnels, D. F. Richards, R. E. Rudd, and F. H. Streitz, “Extending Stability Beyond CPU Millennium: A Micron-Scale Atomistic Simulation of Kelvin–Helmholtz Instability,” Proceedings of the 2007 ACM/IEEE Conference on Supercomputing (2007)

J. A Moriarty et al., “Quantum-based atomistic simulation of transition metals,” AIP Conf. Proc. 845, 403 (2006)

F. H. Streitz et al., “Simulating solidification in metals at high pressure: the drive to petascale computing,” J. of Physics: Conf. Series, 46, 254, (2006)

J. A Moriarty et al., “Robust quantum-based interatomic potentials for multiscale modeling in transition metals.” J. Mat. Res. 21, 563 (2006)

 J. H. Nguyen, D. Orlikowski, F.H. Streitz, J.A. Moriarty and N. C. Holmes, “High-pressure tailored compression: Controlled thermodynamic paths,” J. Appl. Phys. 100, 023508 (2006).

F. H. Streitz, J.N. Glosli and M.V. Patel, “Beyond finite size scaling in solidification simulations,” Phys. Rev. Letters, 96, 225701 (2006)

G. Almasi et al., “Scaling physics and material science applications on a massively parallel Blue Gene/L system,” Proceedings of the 19^th Annual International Conference on Supercomputing (Cambridge, Massachusetts) 2005

F. H. Streitz et al., “100+ TFlop Solidification Simulations on BlueGene/L,” Proceedings of the 2007 ACM/IEEE Conference on Supercomputing (2005)

F.H. Streitz, J.H. Nguyen, D. Orlikowski, R. Minich, J.A. Moriarty and N.C. Holmes, “Final Report 02-ERD-033: Rapid Resolidification of Metals using Dynamic Compression,” Lawrence Livermore National Laboratory Report UCRL-TR-209674, 2005

L. X. Benedict, J. E. Klepeis, and F. H. Streitz, “Calculation of optical absorption in Al across the solid-to-liquid transition,” Phys. Rev. B, 71, 064103 (2005)

J. H. Nguyen, D. Orlikowski, F. H. Streitz, J. A. Moriarty and N. C. Holmes, “Specifically prescribed dynamic thermodynamic paths and resolidification experiments,” Proceedings of the 13^th Topical Conference on Shock Compression of Condensed Matter, July 20-25, 2003 in Portland, Oregon

M. V. Patel and F. H. Streitz, “Simulations of rapid pressure-induced solidification in molten metals,” Proceedings of the 13^th Topical Conference on Shock Compression of Condensed Matter, July 20-25, 2003 in Portland, Oregon

D. Fittinghoff et al., “PLEIADES, A subpicosecond Thomson x-ray source for ultrafast materials probing,” Proceedings of the 5^th Conference on Commercial and Biomedical Applications of Ultrafast Lasers, January 25-31, 2003, San Jose, California.

J. A. Moriarty, J. F. Belak, R. E. Rudd, P. Soderlind, F. H. Streitz, L.H. Yang, "Quantum based atomistic simulation of materials properties in transition metals," J. Phys: Condens. Matter 14, 2825 (2002)

F. H. Streitz and J. W. Mintmire, “Energetics of aluminum vacancies in gamma-alumina,” Phys. Rev. B 60, 773 (1999)

D. J. Keffer, J. W. Mintmire and F. H. Streitz, “Atomic-scale simulations of structural properties of ceramics,” in Solid-State Chemistry of Inorganic Materials, Eds., A. Jacobson, P. Davies, T. Vanderah and C. Toradi, Mat. Res. Soc. Proc. 453, 206 (1997).

F. H. Streitz and J.W. Mintmire, “Molecular dynamics simulations of elastic response and tensile failure of alumina,” Langmuir 12, 4605 (1996)

F. H. Streitz and J. W. Mintmire, “Atomic-scale simulation of tensile failure in metal oxides,” in Structure and Properties of Interfaces in Ceramics, Eds., D. A. Bonnell, U. Chowdhry, and M. Rühle, Mat. Res. Soc. Proc. 357, 459 (1995).

F. H. Streitz and J. W. Mintmire, “Metal/oxide interfaces: an electrostatics-based model,” Composite Interfaces 2, 473 (1995).

F. H. Streitz and J. W. Mintmire, “Electrostatic-based model for alumina surfaces,” Thin Solid Films 253, 179 (1994)

F. H. Streitz and J. W. Mintmire, “Electrostatic potentials for metal oxide surfaces and interfaces,” Phys. Rev. B 50, 11996 (1994)

F. H. Streitz and J. W. Mintmire, “Charge transfer and bonding in metal oxides,” J. Adhes. Science and Technol. 8, 853 (1994)

F. H. Streitz and J. W. Mintmire, “Electrostatic potentials for metal oxide surfaces and interfaces,” in Interface Control of Electrical, Chemical, and Mechanical Properties, ed. S. P. Murarka, K. Rose, T. Ohm, and T. Seidel, Mat. Res. Soc. Proc. 318, 679 (1994).

F. H. Streitz, R. C. Cammarata, and K. Sieradzki, “Surface stress effects on elastic properties II: Metallic multilayers,” Phys. Rev. B 49, 16707 (1994)

F. H. Streitz, R. C. Cammarata, and K. Sieradzki, “Surface stress effects on elastic properties I: Thin metal films,” Phys. Rev. B 49, 16699 (1994)

K. Sieradzki and F. H. Streitz, “Elastic interactions of defects on (111) Au surfaces,” Phys. Rev. B 45, 11433 (1992).

F. H. Streitz, K. Sieradzki, and R. C. Cammarata, “Molecular dynamics study of (001) and (111) fcc thin films,” in Thin Film Structures and Phase Stability, ed. B. M. Clemens and W. L. Johnson, Mat. Res. Soc. Proc. 187 (1990).

F. H. Streitz, K. Sieradzki, and R. C. Cammarata, “Elastic properties of thin fcc films,” Phys. Rev. B 41, 12285 (1990)

F. H. Streitz, C. L. Chien, “Coercivity in granular Fe-Al₂O₃,” in Multicomponent Ultrafine Microstructures, ed. B. H. Kear, D. E. Polk, and R. W. Siegel, Mat. Res. Soc. Proc. 132 (1989)

Gang Xiao, M. Z. Cieplak, D. Musser, A. Gavrin, F. H. Streitz, C. L. Chien, J. J. Rhyne, and J. A. Gotaas, “Significance of plane versus chain sites in high T_c oxide superconductor,” Nature (London) 332, 238 (1988)

F. H. Streitz, M. Z. Cieplak, gang Xiao, A. Gavrin, A. Bakhshai, and C. L. Chien, “Superconducting Au-YBa₂Cu₃O₇ composites,” Appl. Phys. Lett. 52, 927 (1988)

Gang Xiao, M. Z. Cieplak, A. Gavrin, F. H. Streitz, A. Bakhshai, and C. L. Chien, “High temperature superconductivity in tetragonal perovskite structure: is oxygen vacancy order important?” Phys. Rev. Lett. 60, 1446 (1988)

Gang Xiao, F. H. Streitz, M. Z. Cieplak, A. Bakhshai, A. Gavrin, and C. L. Chien, “Electrical transport and superconductivity in Au-YBa₂Cu₃O₇ percolation system,” Phys. Rev. B 38, 776 (1988)

C. L. Chien, Gang Xiao, F. H. Streitz, A. Gavrin, and M. Z. Cieplak, “Effect of noble metal substrate buffer layers on superconducting YBa₂Cu₃O₇ thin films,” Appl. Phys. Lett. 51, 2155 (1987)

Gang Xiao, F. H. Streitz, A. Gavrin, and C. L. Chien, “Superconductivity and magnetism in transition element substituted YBa₂Cu₃O₇ compounds,” J. Appl. Phys. 63, 4196 (1988)

Gang Xiao, F. H. Streitz, A. Gavrin, and C. L. Chien, “Magnetic characteristics of superconducting RBa₂Cu₃O_6+y (R = Nd, Sm, Eu, Gd, Dy, Ho, Er, Tm and Yb),” Solid State Commun. 63, 817 (1987)

Gang Xiao, F. H. Streitz, A. Gavrin, M. Z. Cieplak, J. Childress, Ming Lu, A. Zwicker, and C. L. Chien, “Flux pinning and critical current density in YBa₂Cu₃O_6+y and EuBa₂Cu₃O_6+y superconductors,” Phys. Rev. B 36, 2382 (1987)

Gang Xiao, F. H. Streitz, A. Gavrin, Y. W. Du, and C. L. Chien, Effect of transition metal elements on the superconductivity of YBaCuO,” Phys. Rev. B 35, 8782 (1987)

Outstanding Alumnus Award, Harvey Mudd College (2023)

Secretary's Honor Award, US Secretary of Energy (2021)

Best Paper Award, SC19 Supercomputing Conference (2019)

Secretary's Appreciation Award, US Secretary of Energy (2016, 2019)

Fellow, American Physical Society (2015)

Director's Science and Technology Award, LLNL (2008, 2012)

IEEE Gordon Bell Prize (2005, 2007)