Zobrazeno 1 - 10
of 150
pro vyhledávání: '"Kress, J. D."'
Autor:
Grabowski, P. E., Hansen, S. B., Murillo, M. S., Stanton, L. G., Graziani, F. R., Zylstra, A. B., Baalrud, S. D., Arnault, P., Baczewski, A. D., Benedict, L. X., Blancard, C., Certik, O., Clerouin, J., Collins, L. A., Copeland, S., Correa, A. A., Dai, J., Daligault, J., Desjarlais, M. P., Dharma-wardana, M. W. C., Faussurier, G., Haack, J., Haxhimali, T., Hayes-Sterbenz, A., Hou, Y., Hu, S. X., Jensen, D., Jungman, G., Kagan, G., Kang, D., Kress, J. D., Ma, Q., Marciante, M., Meyer, E., Rudd, R. E., Saumon, D., Shulenburger, L., Singleton Jr., R. L., Sjostrom, T., Stanek, L. J., Starrett, C. E., Ticknor, C., Valaitis, S., Venzke, J., White, A.
We present the results of the first Charged-Particle Transport Coefficient Code Comparison Workshop, which was held in Albuquerque, NM October 4-6, 2016. In this first workshop, scientists from eight institutions and four countries gathered to compar
Externí odkaz:
http://arxiv.org/abs/2007.00744
Publikováno v:
Physical Review B, 2016
Shock compression of silicon (Si) under extremely high pressures (>100 Mbar) was investigated by using two first-principles methods of orbital-free molecular dynamics (OFMD) and path integral Monte Carlo (PIMC). While pressures from the two methods a
Externí odkaz:
http://arxiv.org/abs/1608.07517
We use ab initio molecular dynamics as a basis for quasi-chemical theory evaluation of the free energy of water near conventional liquid thermodynamic states. The PW91, PBE, and revised PBE (rPBE) functionals are employed. The oxygen radial density d
Externí odkaz:
http://arxiv.org/abs/physics/0307017
The HO$^-$(aq) ion participates in myriad aqueous phase chemical processes of biological and chemical interest. A molecularly valid description of its hydration state, currently poorly understood, is a natural prerequisite to modeling chemical transf
Externí odkaz:
http://arxiv.org/abs/physics/0305113
The hydroxide anion plays an essential role in many chemical and biochemical reactions. But a molecular-scale description of its hydration state, and hence also its transport, in water is currently controversial. The statistical mechanical quasi-chem
Externí odkaz:
http://arxiv.org/abs/physics/0211057
We present the first large-scale simulations of an ultracold, neutral plasma, produced by photoionization of laser-cooled xenon atoms, from creation to initial expansion, using classical molecular dynamics methods with open boundary conditions. We re
Externí odkaz:
http://arxiv.org/abs/physics/0111149
We calculate the equation of state of dense deuterium with two ab initio simulations techniques, path integral Monte Carlo and density functional theory molecular dynamics, in the density range of 0.67 < rho < 1.60 g/cc. We derive the double shock Hu
Externí odkaz:
http://arxiv.org/abs/cond-mat/0108076
Publikováno v:
Proceedings of the National Academy of Sciences of the United States of America, 2005 May 01. 102(19), 6704-6708.
Externí odkaz:
https://www.jstor.org/stable/3375418
Publikováno v:
Proceedings of the National Academy of Sciences of the United States of America, 2004 May 01. 101(19), 7229-7233.
Externí odkaz:
https://www.jstor.org/stable/3371848
Publikováno v:
Pacific Symposium on Biocomputing `96, ed. L. Hunter and T. E. Klein (World Scientific, NJ, 1995) pp. 142-159.
This paper describes a mixed direct-iterative method for boundary integral formulations of dielectric solvation models. We give an example for which a direct solution at thermal accuracy is nontrivial and for which Gauss-Seidel iteration diverges in
Externí odkaz:
http://arxiv.org/abs/chem-ph/9510002