We show that a recently introduced stochastic thermostat [J. Chem. Phys. 126 (2007) 014101] can be considered as a global version of the Langevin thermostat. We compare the global scheme and the local one (Langevin) from a formal point of view and through practical calculations on a model Lennard-Jones liquid. At variance with the local scheme, the global thermostat preserves the dynamical properties for a wide range of coupling parameters, and allows for a faster sampling of the phase-space
Molecular dynamics can be used as a very effective, general-purpose approach to gen-erate atomic con...
In this paper we discuss thermostatting using stochastic methods for molecular simulations where con...
In this paper we discuss thermostatting using stochastic methods for molecular simulations where con...
The path integral molecular dynamics (PIMD) method provides a convenient way to compute the quantum ...
Recently, we have shown how a colored-noise Langevin equation can be used in the context of molecula...
We discuss a dynamical technique for sampling the canonical measure in molecular dynamics. We presen...
The path integral molecular dynamics (PIMD) method provides a convenient way to compute the quantum ...
A broad array of canonical sampling methods are available for molecular simulation based on stochast...
A broad array of canonical sampling methods are available for molecular simulation based on stochast...
In this article, we present several algorithms for stochastic dynamics, including Langevin dynamics ...
In this article, we present several algorithms for stochastic dynamics, including Langevin dynamics ...
In this article, we present several algorithms for stochastic dynamics, including Langevin dynamics ...
In this article, we present several algorithms for stochastic dynamics, including Langevin dynamics ...
In this article, we present several algorithms for stochastic dynamics, including Langevin dynamics ...
In this article, we present several algorithms for stochastic dynamics, including Langevin dynamics ...
Molecular dynamics can be used as a very effective, general-purpose approach to gen-erate atomic con...
In this paper we discuss thermostatting using stochastic methods for molecular simulations where con...
In this paper we discuss thermostatting using stochastic methods for molecular simulations where con...
The path integral molecular dynamics (PIMD) method provides a convenient way to compute the quantum ...
Recently, we have shown how a colored-noise Langevin equation can be used in the context of molecula...
We discuss a dynamical technique for sampling the canonical measure in molecular dynamics. We presen...
The path integral molecular dynamics (PIMD) method provides a convenient way to compute the quantum ...
A broad array of canonical sampling methods are available for molecular simulation based on stochast...
A broad array of canonical sampling methods are available for molecular simulation based on stochast...
In this article, we present several algorithms for stochastic dynamics, including Langevin dynamics ...
In this article, we present several algorithms for stochastic dynamics, including Langevin dynamics ...
In this article, we present several algorithms for stochastic dynamics, including Langevin dynamics ...
In this article, we present several algorithms for stochastic dynamics, including Langevin dynamics ...
In this article, we present several algorithms for stochastic dynamics, including Langevin dynamics ...
In this article, we present several algorithms for stochastic dynamics, including Langevin dynamics ...
Molecular dynamics can be used as a very effective, general-purpose approach to gen-erate atomic con...
In this paper we discuss thermostatting using stochastic methods for molecular simulations where con...
In this paper we discuss thermostatting using stochastic methods for molecular simulations where con...