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Path integral molecular dynamics

Known as: Centroid molecular dynamics, PIMD, Ring polymer molecular dynamics 
Path integral molecular dynamics (PIMD) is a method of incorporating quantum mechanics into molecular dynamics simulations using Feynman path… 
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Related topics

Related topics

5 relations
List of numerical analysis topicsMolecular dynamicsPath integral Monte CarloQuantum mechanics

Broader (1)

Quantum Monte Carlo

Papers overview

Semantic Scholar uses AI to extract papers important to this topic.
2015
2015
How to obtain thermostatted ring polymer molecular dynamics from exact quantum dynamics and when to use it
We obtain thermostatted ring polymer molecular dynamics (TRPMD) from exact quantum dynamics via Matsubara dynamics, a recently… 
Review
2014
Review
2014
Social Peer Interactions in Persons with Profound Intellectual and Multiple Disabilities: A Literature Review.
Social interactions may positively influence developmental and quality of life outcomes. Research in persons with profound… 
Highly Cited
2013
Highly Cited
2013
Direct Measurement of Competing Quantum Effects on the Kinetic Energy of Heavy Water upon Melting
Even at room temperature, quantum mechanics plays a major role in determining the quantitative behaviour of light nuclei… 
Highly Cited
2013
Highly Cited
2013
Rate coefficients and kinetic isotope effects of the X + CH[subscript 4] → CH[subscript 3] + HX (X = H, D, Mu) reactions from ring polymer molecular dynamics
The MIT Faculty has made this article openly available. Please share how this access benefits you. Your story matters. Abstract… 
2008
2008
Path-integral molecular dynamics simulation of 3C-SiC
Molecular dynamics simulations of $3C\text{\ensuremath{-}}\mathrm{Si}\mathrm{C}$ have been performed as a function of pressure… 
2000
2000
Path integral molecular dynamics for Bose–Einstein and Fermi–Dirac statistics
In this paper, we propose a promising extension of the path integral molecular dynamics method to Bose–Einstein and Fermi–Dirac… 
1999
1999
Real time quantum correlation functions. II. Maximum entropy numerical analytic continuation of path integral Monte Carlo and centroid molecular dynamics data
We propose a method which uses centroid molecular dynamics (CMD) [J. Cao and G. A. Voth, J. Chem. Phys. 100, 5106 (1994)] real… 
1998
1998
PATH-INTEGRAL MOLECULAR DYNAMICS CALCULATIONS OF ELECTRON PLASMA
We introduce a first-principles molecular dynamics method based on the discretized path integral representation of quantum… 
1995
1995
Path integral molecular dynamics methods: Application to neon
Feynman's path integral formulation of quantum statistical mechanics, which has commonly been applied be Monte Carlo methods, is… 
Highly Cited
1993
Highly Cited
1993
Efficient molecular dynamics and hybrid Monte Carlo algorithms for path integrals
New path integral molecular dynamics (PIMD) and path integral hybrid Monte Carlo (PIHMC) algorithms are developed. It is shown… 
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