Results 31 to 40 of about 5,295,129 (293)

Targeted free energy perturbation

open access: yes, 2001
A generalization of the free energy perturbation identity is derived, and a computational strategy based on this result is presented. A simple example illustrates the efficiency gains that can be achieved with this method.Comment: 8 pages + 1 color ...
A. Kitao   +13 more
core   +1 more source

Harnessing the Bethe free energy

open access: yesRandom Structures & Algorithms, 2016
ABSTRACTA wide class of problems in combinatorics, computer science and physics can be described along the following lines. There are a large number of variables ranging over a finite domain that interact through constraints that each bind a few variables and either encourage or discourage certain value combinations.
Bapst, Victor, Coja-Oghlan, Amin
openaire   +5 more sources

Molecular simulation of rapid translocation of cholesterol, diacylglycerol, and ceramide in model raft and nonraft membranes

open access: yesJournal of Lipid Research, 2012
The translocation of lipids across membranes (flip-flop) is an important biological process. Slow exchange on a physiological timescale allows the creation of asymmetric distributions of lipids across cellular membranes.
W. F. Drew Bennett, D. Peter Tieleman
doaj   +1 more source

Free Energy of ABJM Theory

open access: yes, 2011
The free energy of ABJM theory has previously been computed in the strong and weak coupling limits. In this note, we report on results for the computation of the first non-vanishing quantum correction to the free energy, from the field theory side.
Aharony   +26 more
core   +1 more source

Exploring High Dimensional Free Energy Landscapes: Temperature Accelerated Sliced Sampling [PDF]

open access: yes, 2016
Biased sampling of collective variables is widely used to accelerate rare events in molecular simulations and to explore free energy surfaces. However, computational efficiency of these methods decreases with increasing number of collective variables ...
Awasthi, Shalini, Nair, Nisanth N.
core   +2 more sources

Free Energy, Value, and Attractors

open access: yesComputational and Mathematical Methods in Medicine, 2012
It has been suggested recently that action and perception can be understood as minimising the free energy of sensory samples. This ensures that agents sample the environment to maximise the evidence for their model of the world, such that exchanges with the environment are predictable and adaptive.
Karl J. Friston, Ping Ao
openaire   +2 more sources

Cluster expansion for the description of condensed state: crystalline cell approach

open access: yesCondensed Matter Physics, 2018
A well-known cluster expansion, which leads to virial expansion for the free energy of low density systems, is modified in such a way that it becomes applicable to the description of condensed state of matter.
G.S. Bokun, M.F. Holovko
doaj   +1 more source

Free Energy Landscape Of Simple Liquids Near The Glass Transition [PDF]

open access: yes, 1999
Properties of the free energy landscape in phase space of a dense hard sphere system characterized by a discretized free energy functional of the Ramakrishnan-Yussouff form are investigated numerically. A considerable number of glassy local minima of the
Anderson P W   +17 more
core   +4 more sources

Gibbs free energy and Helmholtz free energy for a three-dimensional Ising-like model

open access: yesCondensed Matter Physics, 2011
The critical behavior of a 3D Ising-like system is studied at the microscopic level of consideration. The free energy of ordering is calculated analytically as an explicit function of temperature, an external field and the initial parameters of the model.
R.V. Romanik, M.P. Kozlovskii
doaj   +1 more source

Construction and Numerical Realization of a Magnetization Model for a Magnetostrictive Actuator Based on a Free Energy Hysteresis Model

open access: yesApplied Sciences, 2019
Giant magnetostrictive actuators (GMA) driven by giant magnetostrictive material (GMM) has some advantages such as a large strain, high precision, large driving force, fast response, high reliability, and so on, and it has become the research hotspot in ...
Zhen Yu   +4 more
doaj   +1 more source

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