Quantum Thermal Bath for Molecular Dynamics Simulation

نویسندگان
چکیده

برای دانلود باید عضویت طلایی داشته باشید

برای دانلود متن کامل این مقاله و بیش از 32 میلیون مقاله دیگر ابتدا ثبت نام کنید

اگر عضو سایت هستید لطفا وارد حساب کاربری خود شوید

منابع مشابه

Thermal conductivity calculation of magnetite using molecular dynamics simulation

In the current research, thermal conductivity of magnetite (Fe3O4) has been calculated using molecular dynamic simulation. The rNEMD Molecular Dynamics Method provided in the LMMPS package is used for the simulation of the thermal conductivity. The effects of magnetite layer size and temperature on the thermal conductivity have been investigated. The numerical results have...

متن کامل

Portable Implementation of a Quantum Thermal Bath for Molecular Dynamics Simulations

Recently, Dammak and coworkers (Phys. Rev. Lett. 103:190601, 2009) proposed that the quantum statistics of vibrations in condensed systems at low temperature could be simulated by running molecular dynamics simulations in the presence of a colored noise with an appropriate power spectral density. In the present contribution, we show how this method can be implemented in a flexible manner and at...

متن کامل

Zero-Point Energy Leakage in Quantum Thermal Bath Molecular Dynamics Simulations.

The quantum thermal bath (QTB) has been presented as an alternative to path-integral-based methods to introduce nuclear quantum effects in molecular dynamics simulations. The method has proved to be efficient, yielding accurate results for various systems. However, the QTB method is prone to zero-point energy leakage (ZPEL) in highly anharmonic systems. This is a well-known problem in methods b...

متن کامل

A Quantum Algorithm for Molecular Dynamics Simulation

Quantum computers could potentially simulate the dynamics of systems such as polyatomic molecules on a much larger scale than classical computers. We investigate a general quantum computational algorithm that simulates an arbitrary nonrelativistic, Coulombic many-body system in three dimensions. We use a simple discretized model of Schrödinger evolution and discuss detailed constructions of the...

متن کامل

Spacetime Foam as a Quantum Thermal Bath

An effective model for the spacetime foam is constructed in terms of nonlocal interactions in a classical background. In the weak-coupling approximation, the evolution of the low-energy density matrix is determined by a master equation that predicts loss of quantum coherence. Moreover, spacetime foam can be described by a quantum thermal field that, apart from inducing loss of coherence, gives ...

متن کامل

ذخیره در منابع من


  با ذخیره ی این منبع در منابع من، دسترسی به آن را برای استفاده های بعدی آسان تر کنید

ژورنال

عنوان ژورنال: Physical Review Letters

سال: 2009

ISSN: 0031-9007,1079-7114

DOI: 10.1103/physrevlett.103.190601