Tadashi Ogitsu

Contact information:

Lawrence Livermore National Laboratory
7000 East Avenue, L-413
Livermore, CA 94550
email: ogitsu@llnl.gov
phone: +1-925-422-8511
fax: +1-925-423-5733

Education and Previous Work Places:

  • PhD in Materials Science from University of Tsukuba, Japan (1994)
  • Research associate at Institute for Solid State Physics, University of Tokyo, Japan (1994-1998)
  • PD at University of Illinois at Urbana-Champaign (1998-2001)


I'm interested in scientific researches in the field of energy conversion and storage technologies, particularly, photoelectrochemical hydrogen production and hydrogen storage. 

Recent publications:

  •  Y. Liu et al. "Self-optimizing, highly surface-active layered metal dichalcogenide for hydrogen evolution," Nat. Energy. 2, 1 (2017).
  • S.Y. Kang, T. Ogitsu, S. A. Bonev, T. W. Heo, M. D. Allendorf, B. Wood, "Understanding Charge Transfer at Mg/MgH2 Interfaces for Hydrogen Storage," ECS Transactions 77, 81 (2017).
  • T. Ogitsu, V. Lordi, E. Schwegler, M. Widom, Comment on "New Ground State of Elemental Boron," Phys. Rev. Lett. 118, 159601 (2017).
  • A. Shamp, E. Zurek, T. Ogitsu, D. E. Fratanduono, S. Hamel, "Properties of B4C in the shocked state for pressures up to 1.5 TPa," Phys. Rev. B 95, 184111 (2017).
  • T. A. Pham, T. Ogitsu, E. Y. Lau, E. Schwegler, "Structure and dynamics of aqueous solutions from PBE-based first-principles molecular dynamics simulations," J. Chem. Phys. 145 154501 (2016).
  • T. A. Pham. S. M. Golam, B. C. Wood, E. Y. Lau, T. Ogitsu, S. F. Buchsbaum, Z. S. Siwy, F. Fornasiero, E. Schwegler, "Salt Solutions in Carbon Nanotubes: The Role of Cation-pi Interactions," J. Phys. Chem. C 120, 7332 (2016).
  • J. L. Fattebert, D. Osei-Kuffuor, E. W. Draeger, T. Ogitsu, W. D. Krauss, "Modeling Dilute Solutions Using First-Principles Molecular Dynamics: Computing more than a Million Atoms with over a Million Cores," SC16: International Conference for High Performance Computing, Networking, Storage and Analysis, 12 (2016).
  • B. Cho, et al., "Measurement of Electron-Ion Relaxation in Warm Dense Copper," Scientific Reports 6, 18843 (2016).
  • M. A. White, A. B. Cerqueira, C. A. Whitman, M. B. Johnson, and T. Ogitsu, "Determination of Phase Stability of Elemental Boron," Angewandte Chemie 127, 3697 (2015).
  • M. D. Radin, T. Ogitsu, J. Biener, M. Otani, and B. C. Wood, "Capacitive charge storage at an electrified interface investigated via direct first-principles simulations," Phys Rev B 91, 125415 (2015).
  • N. Kumar, M. D. Radin, B. C. Wood, T. Ogitsu, and D. J. Siegel, "Surface-Mediated Solvent Decomposition in Li–Air Batteries: Impact of Peroxide and Superoxide Surface Terminations," The Journal of Physical Chemistry C  119, 9050 (2015).
  • D. V. Esposito, et al., "Methods for Photoelectrode Characterization with High Spatial and Temporal Resolution," Energy & Environmental Science 8, 2863  (2015).
  • W. I. Choi, B. C. Wood, E. Schwegler, and T. Ogitsu, "Combinatorial Search for High‐Activity Hydrogen Catalysts Based on Transition‐Metal‐Embedded Graphitic Carbons," Advanced Energy Materials 5, 23 (2015).
  • J. Zhou et al. "Dynamics of charge clouds ejected from laser-induced warm dense gold nanofilms," Phys. Rev. E 90, 041102 (2014).
  • B. C. Wood, E. Schwegler, W.-I. Choi, and T. Ogitsu, "Surface chemistry of GaP(001) and InP(001) in contact with water", J. Phys. Chem. C. 118, 1062-1070 (2014).
  • Brandon C. Wood, Tadashi Ogitsu, Minoru Otani, Juergen Biener, "First principles-inspired design strategies for graphene-based supercapacitor electrodes," J. Phys. Chem. C 118, 4-15 (2014).
  • M. Bagge-Hansen et al. "Potential-Induced Electronic Structure Changes in Supercapacitor Electrodes Observed by In Operando Soft X-Ray Spectroscopy," Advanced Materials 27, 1512-1518 (2014).
  • Brandon C. Wood, Eric Schwegler, Woon Ih Choi, and Tadashi Ogitsu, "Hydrogen-Bond Dynamics of Water at the Interface with InP/GaP(001) and the Implications for Photoelectrochemistry," J. Am. Chem. Soc. 135, 15774-15783 (2013).
  • Woon Ih Choi, Brandon C. Wood, Eric Schwegler, and Tadashi Ogitsu, "Binding sites dependent free energy barrier of proton reduction reaction on the edge atoms of MoS2," J. Phys. Chem. C 117, 21772-21777 (2013).
  • Tadashi Ogitsu, Eric Schwegler, and Giulia Galli, "ß-Rhombohedral Boron: At the Crossroads of the Chemistry of Boron and the Physics of Frustration", Chemical Reviews http://dx.doi.org/10.1021/cr300356t (2013). VRML file for the structure of partial occupancy in ß-Rhombohedral boron is HERE
  • Brandon C. Wood, Tadashi Ogitsu, Eric Schwegler, "Local structural models of complex oxygen- and hydroxyl-rich GaP/InP(001) surfaces", The Journal of Chemical Physics 136, 064705 (2012)
  • Tadashi Ogitsu and Eric Schwegler "alpha-beta phase boundary of elemental boron", Solid State Sciences 14, 1598 (2012)
  • Tadashi Ogitsu, Yuan Ping, Alfredo Correa, Byoung-ick Cho, Phil Heimann, Eric Schwegler, J. Cao, Gilbert W. Collins, "Ballistic electron transport in non-equilibrium warm dense gold" High Energy Density Physics 8, 303 (2012)
  • Junjie Li, Jun Zhou, Tadashi Ogitsu, Yuan Ping, William D. Ware, and Jiaming Cao, "Probing the warm dense copper nano-foil with ultrafast electron shadow imaging and deflectometry" High Energy Density Physics 8, 298 (2012)
  • Jonathan R.I. Lee, Heather D. Whitley, Robert W. Meulenberg, Abraham Wolcott, Jin Z. Zhang, David Prendergast, Derek D. Lovingood, Geoffrey F. Strouse, Tadashi Ogitsu, Eric Schwegler, Lois J. Terminello, and Tony van Buuren, "Ligand-Mediated Modification of the Electronic Structure of CdSe Quantum Dots" Nano Letters 12, 2763 (2012)
  • B. I. Cho, P. A. Heimann, K. Engelhorn, J. Feng, T. E. Glover, M. P. Hertlein, T. Ogitsu, C. P. Weber, A. A. Correa, R. W. Falcone, "Picosecond Single-Shot X-ray Absorption Spectroscopy for Warm Dense Matter", Synchrotron Radiation News 25, 12 (2012)
  • Brandon C. Wood, Tadashi Ogitsu, Eric Schwegler, "Ab initio modeling of water-semiconductor interfaces for photocatalytic water splitting: role of surface oxygen and hydroxyl", Journal of Photonics for Energy 1, 016002 (2011)
  • B. I. Cho, K. Engelhorn, A. A. Correa, T. Ogitsu, C. P. Weber, H. J. Lee, J. Feng, P. A. Ni, Y. Ping, A. J. Nelson, D. Prendergast, R. W. Lee, R. W. Falcone, P. A. Heimann, "Electronic Structure of Warm Dense Copper Studied by Ultrafast X-ray Absorption Spectroscopy", Physical Review Letters 106, 167601 (2011)
  • Y. Ping, A. A. Correa, T. Ogitsu, E. Draeger, E. Schwegler, T. Ao, K. Widmann, D. F. Price, E. Lee, H. Tam, P. T. Springer, D. Hanson, I. Koslow, D. Prendergast, G. Collins, A. Ng, "Warm dense matter created by isochoric laser heating", High Energy Density Physics 6, 246 (2010)
  • Tadashi Ogitsu, Francois Gygi, John Reed, Masafumi Udagawa, Yukitoshi Motome, Eric Schwegler, and Giulia Galli, "Geometrical frustration in an elemental solid: An Ising model to explain the defect structure of beta-rhombohedral boron", Physical Review B 81, 020102 (2010)
  • T. Ogitsu, F. Gygi, Y. Motome, E. Schwegler, and G. Galli, "Imperfect Crystal and Unusual Semiconductor: Boron, a Frustrated Element", Journal of American Chemical Society 131, 1903 (2009)
  • Tadashi Ogitsu, Lorin X. Benedict, Eric Schwegler, Erik W. Draeger, "First-principles calculations of solid and liquid aluminum optical absorption spectra near the melting curve: Ambient and high-pressure results", Physical Review B 80, 214105 (2009)
  • L. X. Benedict, T. Ogitsu, A. Trave, C. J. Wu, P. A. Sterne, E. Schwegler, "Calculations of high-pressure properties of beryllium: Construction of a multiphase equation of state", Physical Review B 79, 064106 (2009)
  • Tadashi Ogitsu, "Computational Physics - A quantum puzzle revisited", Nature Physics 3, 452 (2007)
  • Y. Ping, D. Hanson, I. Koslow, T. Ogitsu, D. Prendergast, E. Schwegler, G. Collins, A. Ng, "Broadband dielectric function of nonequilibrium warm dense gold" Physical Review Letters 96, 255003 (2006)
  • S. A. Bonev, E. Schwegler, T. Ogitsu, G. Galli, "A quantum fluid of metallic hydrogen suggested by first-principles calculations", Nature 431, 669 (2004)
  • T. Ogitsu, E. Schwegler, F. Gygi, and G. Galli, "Melting of lithium hydride under pressure", Physical Review Letters 91, 175502 (2003)
  • S. A. Bonev, F. Gygi, T. Ogitsu, G. Galli, "High-pressure molecular phases of solid carbon dioxide", Physical Review Letters 91, 065501 (2003)
  • H. Kitamura, S. Tsuneyuki, T. Ogitsu, T. Miyake, "Quantum distribution of protons in solid molecular hydrogen at megabar pressures", Nature 404, 259 (2000)