Zobrazeno 1 - 5
of 5
pro vyhledávání: '"Donald M. Nicholson"'
Publikováno v:
Entropy, Vol 24, Iss 5, p 603 (2022)
Evaluation of the entropy from molecular dynamics (MD) simulation remains an outstanding challenge. The standard approach requires thermodynamic integration across a series of simulations. Recent work Nicholson et al. demonstrated the ability to cons
Externí odkaz:
https://doaj.org/article/c1dc6e3be1ec4df38598e0df8e37cd0f
Publikováno v:
Entropy, Vol 23, Iss 2, p 234 (2021)
We prove that, within the class of pair potential Hamiltonians, the excess entropy is a universal, temperature-independent functional of the density and pair correlation function. This result extends Henderson’s theorem, which states that the free
Externí odkaz:
https://doaj.org/article/35459882b18a41bb8395b10cd8f2d55a
Publikováno v:
Macromolecules; Dec2010, Vol. 43 Issue 24, p10722-10734, 13p
Publikováno v:
Physica B+C. 99:250-254
In this work we calculate a variational upper bound for the ground-state energy of the two-dimensional electron gas. The calculation sheds light on the validity of approximate calculations and indicates that the “deformable jellium” model of an i
Autor:
Maruf A. Razzuk, Donald M. Nicholson, Martin J. Nathan, Donald L. Paulson, Harold C. Urschel, Ervin R. Miller
Publikováno v:
The Annals of Thoracic Surgery. 10:119-131