Zobrazeno 1 - 10
of 1 797
pro vyhledávání: '"COX, STEPHEN"'
Autor:
Bui, Anna T., Cox, Stephen J.
Accurate and efficient theoretical techniques for describing ionic fluids are highly desirable for many applications across the physical, biological and materials sciences. With a rigorous statistical mechanical foundation, classical density function
Externí odkaz:
http://arxiv.org/abs/2410.02556
In the superionic phase of silver iodide, we observe a distorted tetragonal structure characterized by symmetry breaking in the cation distribution. This phase competes with the well known bcc phase, with a symmetric cation distribution at an energet
Externí odkaz:
http://arxiv.org/abs/2409.15217
Autor:
Bui, Anna T., Cox, Stephen J.
Publikováno v:
J. Chem. Phys. 161, 201102 (2024)
A central aim of statistical mechanics is to establish connections between a system's microscopic fluctuations and its macroscopic response to a perturbation. For non-equilibrium transport properties, this amounts to establishing Green-Kubo (GK) rela
Externí odkaz:
http://arxiv.org/abs/2409.07134
Autor:
Bui, Anna T., Cox, Stephen J.
Publikováno v:
J. Chem. Phys. 161, 104103 (2024)
A central aim of multiscale modeling is to use results from the Schr\"odinger Equation to predict phenomenology on length scales that far exceed those of typical molecular correlations. In this work, we present a new approach rooted in classical dens
Externí odkaz:
http://arxiv.org/abs/2402.02873
Nucleation in small volumes of water has garnered renewed interest due to the relevance of pore condensation and freezing under conditions of low partial pressures of water, such as in the upper troposphere. Molecular simulations can in principle pro
Externí odkaz:
http://arxiv.org/abs/2306.12903
Autor:
Wild, Joseph F., Chen, Heng, Liang, Keyue, Liu, Jiayu, Cox, Stephen E., Halliday, Alex N., Yang, Yuan
A general method of separating isotopes by centrifuging dissolved chemical compounds in a liquid solution is introduced. This technique can be applied to almost all elements and leads to large separation factors. The method has been demonstrated in s
Externí odkaz:
http://arxiv.org/abs/2303.14168
Autor:
Bowman, Gregory R., Cox, Stephen J., Dellago, Christoph, DuBay, Kateri H., Eaves, Joel D., Fletcher, Daniel A., Frechette, Layne B., Grünwald, Michael, Klymko, Katherine, Ku, JiYeon, Omar, Ahmad K., Rabani, Eran, Reichman, David R., Rogers, Julia R., Rosnik, Andreana M., Rotskoff, Grant M., Schneider, Anna R., Schwierz, Nadine, Sivak, David A., Vaikuntanathan, Suriyanarayanan, Whitelam, Stephen, Widmer-Cooper, Asaph
Publikováno v:
Ann. Rev. Phys. Chem. 74, 11.1-11.27 (2023)
Phillip L. Geissler made important contributions to the statistical mechanics of biological polymers, heterogeneous materials, and chemical dynamics in aqueous environments. He devised analytical and computational methods that revealed the underlying
Externí odkaz:
http://arxiv.org/abs/2302.13806