Results 1 to 10 of about 83,346 (245)
Langevin Thermostat for Rigid Body Dynamics [PDF]
The Journal of Chemical Physics, 2009 We present a new method for isothermal rigid body simulations using the quaternion representation and Langevin dynamics. It can be combined with the traditional Langevin or gradient (Brownian) dynamics for the translational degrees of freedom to ...
Altmann S. L. +6 more
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Langevin molecular dynamics derived from Ehrenfest dynamics [PDF]
Mathematical Models and Methods in Applied Sciences, 2010 Stochastic Langevin molecular dynamics for nuclei is derived from the Ehrenfest Hamiltonian system (also called quantum classical molecular dynamics) in a Kac-Zwanzig setting, with the initial data for the electrons stochastically perturbed from the ...
Szepessy, Anders
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Langevin dynamics neglecting detailed balance condition [PDF]
Physical Review E, 2015 An improved method for driving a system into a desired distribution, for example, the Gibbs-Boltzmann distribution, is proposed, which makes use of an artificial relaxation process.
Ichiki, Akihisa, Ohzeki, Masayuki
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Fine Tuning Classical and Quantum Molecular Dynamics using a Generalized Langevin Equation [PDF]
, 2017 Generalized Langevin Equation (GLE) thermostats have been used very effectively as a tool to manipulate and optimize the sampling of thermodynamic ensembles and the associated static properties. Here we show that a similar, exquisite level of control can
Ceriotti, Michele +2 more
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Langevin dynamics with space-time periodic nonequilibrium forcing [PDF]
, 2014 We present results on the ballistic and diffusive behavior of the Langevin dynamics in a periodic potential that is driven away from equilibrium by a space-time periodic driving force, extending some of the results obtained by Collet and Martinez. In the
Joubaud, R., Pavliotis, G., Stoltz, G.
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Memory effects in non-adiabatic molecular dynamics at metal surfaces
, 2010 We study the effect of temporal correlation in a Langevin equation describing non-adiabatic dynamics at metal surfaces. For a harmonic oscillator the Langevin equation preserves the quantum dynamics exactly and it is demonstrated that memory effects are ...
Olsen, Thomas, Schiøtz, Jakob
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Quantum statistics of overlapping modes in open resonators
, 2003 We study the quantum dynamics of optical fields in weakly confining resonators with overlapping modes. Employing a recently developed quantization scheme involving a discrete set of resonator modes and continua of external modes we derive Langevin ...
A.E. Siegman +30 more
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Brownian Motors driven by Particle Exchange
, 1997 We extend the Langevin dynamics so that particles can be exchanged with a particle reservoir. We show that grand canonical ensembles are realized at equilibrium and derive the relations of thermodynamics for processes between equilibrium states.
Adams D. J. +14 more
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Derivation of Langevin Dynamics in a Nonzero Background Flow Field [PDF]
, 2012 We propose a derivation of a nonequilibrium Langevin dynamics for a large particle immersed in a background flow field. A single large particle is placed in an ideal gas heat bath composed of point particles that are distributed consistently with the ...
Dobson, Matthew +3 more
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Localised distributions in complex Langevin dynamics [PDF]
, 2013 Complex Langevin dynamics can be used to perform numerical simulations of theories with a complex action. In order to justify the procedure, it is important to understand the properties of the real and positive distribution, which is effectively sampled ...
Aarts, Gert +2 more
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