Contact Information
	NAME	Burkhard Militzer
	PHONE	(925) 422-4515
	FAX	(925) 422-6594
	E-MAIL	militzer@llnl.gov
	ADDRESS	Lawrence Livermore National Laboratory 7000 East Avenue, L-415 Livermore, CA 94550, USA

Research Interests
Theory and simulation of novel materials under extreme conditions of pressure and temperature with particular emphasis on hot, dense hydrogen using path integral Monte Carlo (PIMC) simulations. See recent presentation on this topic.
Understanding hot dense hydrogen with PIMC simulations
Molecular liquid Molecular metallic liquid Metallic liquid
Lowering of the Kinetic Energy in Interacting Quantum Systems
Temperature density region of kinetic energy lowering for dense hydrogen and the electron gas. The equilibrium momentum distribution is of fundamental importance to characterize many-body systems. In contrast to classical systems where the distribution is always Maxwellian, in quantum systems the distribution depends on particle statistics, bosons or fermions, as well as on interactions and can display interparticle correlations, which are the basis of superfluidity and superconductivity. In this article, we report and explain a surprising effect of interactions in quantum systems on the one particle momentum distribution and kinetic energy. Interactions never lower the ground state kinetic energy of a quantum system. However, at nonzero temperature, where the system occupies a thermal distribution of states, interactions can reduce the kinetic energy below the noninteracting value. This is demonstrated using PIMC simulations for dense hydrogen and the electron gas.
The high temperature phase diagram of hydrogen
At which pressure and density does hydrogen become metallic? At low densities up to about rs=2.6, the properties of hydrogen including the equation of state are well understood. Processes like the thermal dissociation of molecules can be modelled accurately with PIMC. The resulting proton-proton pair correlation functions are shown.
Determination of a single and double Hugoniot Curve from Ab Initio simulations
Single shock hugoniot results Single and double shock hugoniot in the phase diagram. Double shock hugoniot results
Publications
Selected	B.-D. Dörfel and B. Militzer, "Test of Modular Invariance for Finite XXZ Chains", J.Phys.A: Math.Gen. 26 (1993) 4875 B. Militzer, "Quanten-Molekular-Dynamik von Coulomb-Systemen", Logos publishing company, Berlin, 1996, ISBN 3-931216-08-X B. Militzer, "Quanten-Molekular-Dynamik mit reaktiven Freiheitsgraden", in Dynamik, Evolution, Strukturen, Ed. J. Freund, Dr. Köster publishing company, Berlin, 1996 W. Ebeling and B. Militzer, "Quantum Molecular Dynamics of Partially Ionized Plasmas", Phys. lett. A 226 (1997) 298 W. Ebeling, B. Militzer, and F. Schautz, "Quasi-classical Theory and Simulations of Hydrogen-like Quantum Plasmas", Contr. Plasma Physics 37 (1997) 2-3, 137 B. Militzer, M. Zamparelli, and D. Beule, "Evolutionary Search for Low Autocorrelated Binary Sequences", IEEE Trans. Evol. Comput., 2 (1998) 34-39 B. Militzer, W. Magro, and D. Ceperley, "Fermionic Path-Integral Simulation of Dense Hydrogen", in Strongly Coupled Coulomb Systems, ed. by G. J. Kalman, J. M. Rommel and K. Blagoev, Plenum Press, New York NY, 1998 W. Ebeling, B. Militzer, and F. Schautz, "Quasi-Classical Theory and Simulation of Two-Component Plasmas", in Strongly Coupled Coulomb Systems, ed. by G. J. Kalman, J. M. Rommel and K. Blagoev, Plenum Press, New York NY, 1998 W. Magro, B. Militzer, D. Ceperley, B. Bernu, and C. Pierleoni, "Restricted Path Integral Monte Carlo Calculations of Hot, Dense Hydrogen", in Strongly Coupled Coulomb Systems, ed. by G. J. Kalman, J. M. Rommel and K. Blagoev, Plenum Press, New York NY, 1998 B. Militzer, W. Magro, and D. Ceperley, "Characterization of the State of Hydrogen at High Temperature and Density", Contr. Plasma Physics 39 (1999) 1-2, 151 B. Militzer, E. L. Pollock, "Introduction to the Variational Density Matrix Method and its Application to Dense Hydrogen", in Strongly Coupled Coulomb Systems 99, ed. by C. Deutsch, B. Jancovici, and M.-M. Gombert, J. Phys. France IV 10 (2000) 315. B. Militzer, E. L. Pollock, "Variational Density Matrix Method for Warm Condensed Matter and Application to Dense Hydrogen", Phys. Rev. E 61 (2000) 3470. B. Militzer, D. M. Ceperley, "Path Integral Monte Carlo Calculation of the Deuterium Hugoniot", Phys. Rev. Lett. 85 (2000) 1890. B. Militzer, "Path Integral Monte Carlo Simulations of Hot Dense Hydrogen", Ph.D. thesis, University of Illinois (2000). B. Militzer, D. M. Ceperley, "Path Integral Monte Carlo Simulation of the Low-Density Hydrogen Plasma", Phys. Rev. E 63 (2001) 066404. B. Militzer, D. M. Ceperley, J. D. Kress, J. D. Johnson, L. A. Collins, S. Mazevet "Calculation of a Deuterium Double Shock Hugoniot from Ab Initio Simulations", Phys. Rev. Lett. 87 (2001) 275502. B. Militzer, E. L. Pollock, "Lowering of the Kinetic Energy in Interacting Quantum Systems", submitted to Phys. Rev. Lett. (2002).

Page designed by B. Militzer.
UCRL-MI-140705
Date last modified: 07/30/02
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