JOEL D. KRESS
| Title(s): | Acting Group Leader | |||
| Department: | Theoretical Chemistry and Molecular Physics Group | |||
| Email: | jdk@lanl.gov | |||
| Phone: | (505) 667-8906 | |||
| Fax: | (505) 665-3909 | |||
| Postal Mail: | Theoretical Chemistry and Molecular Physics (Group T-12) Los Alamos National Laboratory |
|||
| (Mail Stop B268) Los Alamos, NM 87545 USA | ||||
Career Highlights
|
Dr. Kress began his career conducting postdoctoral research for three years at Los Alamos National Laboratory. He became a technical staff member in the Theoretical Chemistry and Molecular Physics Group in 1990 and was named deputy group leader in 2000. He was also an investigator on "Polymers at Interfaces," which is a Department of Energy, Office of Science, Division of Materials Science, Computational Materials Science Network project. From 1994-2000, he was project leader for "Reactive Processing of Microelectronics," a project within the Center for Semiconductor Modeling and Simulation (CSMS). |
Research Areas
|
Presently, Dr. Kress has been studying the aging of polymers in high explosives. This includes determining the kinetics mechanisms for the chemical decomposition (hydrolysis, oxidation) of polyurethane-polyester elastomers. Over the last 10 years, he has been studying the properties of Warm, Dense Matter (WDM) using sophisticated ab initio molecular dynamics techniques. WDM bridges the regime between traditional condensed matter physics at room temperatures and high (solid) density and tradition plasma physics at high temperatures and low (gas) density. |
Selected Publications
- S.D. Chao, J.D. Kress, A. Redondo, "Coarse-grained rigid blob model for soft matter simulations," Journal of Chemical Physics 122 (23): 234912 (2005)
- D. Asthagiri, L.R. Pratt, J.D. Kress, "Ab initio molecular dynamics and quasichemical study of H+(aq)," Proceedings of the National Academy of Sciences of the United States of America 102 (19): 6704-6708 (2005)
- L.A. Collins, J.D. Kress, S.F. Mazevet, et al., "Quantum molecular dynamics simulations of dense plasmas," IEEE Transactions on Plasma Science 33 (2): 586-587 (2005)
- S. Mazevet, M.P. Desjarlais, L.A. Collins, et al., "Simulations of the optical properties of warm dense aluminum," Physical Review E 71 (1): 016409 (2005)
- D. Asthagiri, L. R. Pratt, J. D. Kress, and M. A. Gomez, "An Alternative Multipolar Expansion for Intermolecular Potential Functions," Natl. Acad. Sci (USA) 101, 7229-7233 (2004)
- J. Eckert, T.D. Sewell, J.D. Kress, et al., "Vibrational analysis of the inelastic neutron scattering spectrum of tetramethylammonium borohydride by molecular dynamics simulations and electronic structure calculations," Journal of Physical Chemistry A 108 (51): 11369-11374 (2004)
- S. Mazevet, P. Blottiau, J.D. Kress, et al., "Quantum molecular dynamics simulations of shocked nitrogen oxide," Physical Review B 69 (22): 224207 (2004)
- D. Asthagiri, L.R. Pratt, J.D. Kress, et al., "Hydration and mobility of HO-(aq)," Proceedings of the National Academy of Sciences of the United States of America 101 (19): 7229-7233 (2004)
- S. D. Chao, J. D. Kress, and A. Redondo, "An Alternative Multipolar Expansion for Intermolecular Potential Functions," J. Chem. Phys. 120, 5558-65 (2004)
- D. Asthagiri, L.R. Pratt, J.D. Kress, "Free energy of liquid water on the basis of quasichemical theory and ab initio molecular dynamics," Physical Review E 68 (4): 041505 (2003)
- D. Asthagiri, L.R. Pratt, J.D. Kress, et al., "The hydration state of HO-(aq)," Chemical Physics Letters 380 (5-6): 530-535 (2003)
- S. Mazevet, L.A. Collins, N.H. Magee, et al., "Quantum Molecular Dynamics calculations of radiative opacities," Astronomy & Astrophysics 405 (1): L5-L9 (2003)
- S. Mazevet, J.D. Kress, L.A. Collins, et al., "Quantum molecular-dynamics study of the electrical and optical properties of shocked liquid nitrogen," Physical Review B 67 (5): 054201 (2003)
- M. Tsige, T. Soddemann, S.B. Rempe, et al., "Interactions and structure of poly(dimethylsiloxane) at silicon dioxide surfaces: Electronic structure and molecular dynamics studies," Journal of Chemical Physics 118 (11): 5132-5142 (2003)
Professional Appointments
| 2000-present | Deputy Group Leader, Chemistry and Molecular Physics Group | |
| 1994-2000 | Project Leader, Center for Semiconductor Modeling and Simulation (CSMS) | |
| 1990-Present | Technical Staff Member, Los Alamos National Laboratory (LANL) |
Professional Preparation
| Iowa State University | Chemical Physics | Ph.D. 1987 | ||
| North Dakota State University | Chemistry | B.S. 1982 |
