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pro vyhledávání: '"Adib, Artur B."'
Autor:
Adib, Artur B.
Owing to their favorable scaling with dimensionality, Monte Carlo (MC) methods have become the tool of choice for numerical integration across the quantitative sciences. Almost invariably, efficient MC integration schemes are strictly designed to com
Externí odkaz:
http://arxiv.org/abs/1001.5249
Autor:
Adib, Artur B.
Publikováno v:
J. Chem. Phys. 130, 247101 (2009)
It has recently been argued that a self-consistency condition involving the Jarzynski equality (JE) and the Crooks fluctuation theorem (CFT) is violated for a simple Brownian process [L. Y. Chen, J. Chem. Phys. 129, 091101 (2008)]. This note adopts t
Externí odkaz:
http://arxiv.org/abs/0907.1908
Autor:
Adib, Artur B.
Publikováno v:
Phys. Rev. E 80, 036706 (2009)
A class of algorithms in discrete space and continuous time for Brownian first passage time estimation is considered. A simple algorithm is derived that yields exact mean first passage times (MFPT) for linear potentials in one dimension, regardless o
Externí odkaz:
http://arxiv.org/abs/0904.4219
Autor:
Minh, David D. L., Adib, Artur B.
Publikováno v:
Phys. Rev. E 79, 021122 (2009) [5 pages]
We apply path integrals to study nonequilibrium work theorems in the context of Brownian dynamics, deriving in particular the equations of motion governing the most typical and most dominant trajectories. For the analytically soluble cases of a movin
Externí odkaz:
http://arxiv.org/abs/0812.0109
Autor:
Minh, David D. L., Adib, Artur B.
Publikováno v:
Phys. Rev. Lett. 100, 180602 (2008)
An optimized method for estimating path-ensemble averages using data from processes driven in opposite directions is presented. Based on this estimator, bidirectional expressions for reconstructing free energies and potentials of mean force from sing
Externí odkaz:
http://arxiv.org/abs/0802.0224
Autor:
Adib, Artur B.
Publikováno v:
J. Phys. Chem. B 112, 5910 (2008)
In numerical studies of diffusive dynamics, two different action functionals are often used to specify the probability distribution of trajectories, one of which requiring the evaluation of the second derivative of the potential in addition to the fo
Externí odkaz:
http://arxiv.org/abs/0712.1255
Autor:
Adib, Artur B.
Publikováno v:
Phys. Rev. E 77, 021118 (2008)
A correlated random walk approach to diffusion is applied to the disordered nonoverlapping Lorentz gas. By invoking the Lu-Torquato theory for chord-length distributions in random media [J. Chem. Phys. 98, 6472 (1993)], an analytic expression for the
Externí odkaz:
http://arxiv.org/abs/0711.1875
Autor:
Adib, Artur B.
Publikováno v:
Phys. Rev. E 75, 061204 (2007)
A simple theory for the leading-order correction g_1(r) to the structure of a hard-sphere liquid with discrete (e.g. square-well) potential perturbations is proposed. The theory makes use of a general approximation that effectively eliminates four-pa
Externí odkaz:
http://arxiv.org/abs/cond-mat/0612674
Autor:
Adib, Artur B.
Publikováno v:
J. Chem. Phys. 124, 144111 (2006)
Recent developments in statistical mechanics have allowed the estimation of equilibrium free energies from the statistics of work measurements during processes that drive the system out of equilibrium. Here a different class of processes is considere
Externí odkaz:
http://arxiv.org/abs/cond-mat/0510639
Autor:
Adib, Artur B.
Publikováno v:
Phys. Rev. Lett. 96, 028307 (2006)
It is shown that the kinetics of time-reversible chemical reactions having the same equilibrium constant but different initial conditions are closely related to one another by a directly measurable symmetry relation analogous to chemical detailed bal
Externí odkaz:
http://arxiv.org/abs/cond-mat/0509191