Metadynamics - PDFSEARCH.IO - Document Search Engine

Metadynamics
Results: 8

#	Item
1	22.6. Adaptively biased MD, steered MD, and umbrella sampling with REMDAnalyzing multi-dimensional replica exchange simulations The REMD log file for each dimension is further divided into the log messages for Add to Reading List Source URL: ambermd.org Language: English - Date: 2016-08-18 09:53:04 Computational chemistry Molecular dynamics Theoretical chemistry Local Elevation Metadynamics Xi Umbrella sampling Identical particles
2	Ciacchi Journal of Cheminformatics 2013, 5(Suppl 1):O10 http://www.jcheminf.com/content/5/S1/O10 ORAL PRESENTATION Open Access Add to Reading List Source URL: www.jcheminf.com Language: English Computational chemistry Intermolecular forces Colloidal chemistry Molecular dynamics Adhesion Force field Metadynamics Simulation Adsorption Chemistry Materials science Molecular modelling
3	The well-tempered ensemble Prof. Michele Parrinello ETH Zürich, Department of Chemistry and Applied Biosciences, Computational Science, USI-Campus, Via Giuseppe Buffi 13, 6900 Lugano, Switzerland In order to alleviate t Add to Reading List Source URL: www.iccs-meeting.org Language: English - Date: 2014-05-21 12:06:50 Science Computational chemistry Metadynamics Theoretical chemistry Canonical ensemble Michele Parrinello Statistical ensemble Parallel tempering Partition function Molecular dynamics Chemistry Physics
4	DOC Document Add to Reading List Source URL: www.qro.cinvestav.mx Language: English - Date: 2012-06-16 01:00:46 Theoretical chemistry Metadynamics Chemistry Molecular dynamics Computational chemistry
5	Hindawi Publishing Corporation Journal of Atomic, Molecular, and Optical Physics Volume 2012, Article ID[removed], 14 pages doi:[removed][removed]Review Article Add to Reading List Source URL: downloads.hindawi.com Language: English - Date: 2014-05-08 04:22:25 Chemical kinetics Theoretical chemistry Kinetic Monte Carlo Energy Transition state Metastability Metadynamics Periodic boundary conditions Protein folding Chemistry Computational chemistry Molecular dynamics
6	MASTER DE PHYSIQUE ET APPLICATIONS - 2ème année Spécialité Sciences des Matériaux et Nano-objets UPMC Paris 6, ENS Ulm, Chimie ParisTech, ESPCI et l’École Polytechnique Proposition de stage[removed]Laboratoire Add to Reading List Source URL: www.impmc.upmc.fr Language: English - Date: 2014-10-07 08:50:07 University of Paris Ab initio Jussieu Metadynamics Nature Computational chemistry Theoretical chemistry Pierre and Marie Curie University
7	Advanced Review Metadynamics Alessandro Barducci, Massimiliano Bonomi and Michele Parrinello∗ Metadynamics is a powerful technique for enhancing sampling in molecular dynamics simulations and reconstructing the free-e Add to Reading List Source URL: media.wiley.com Language: English - Date: 2013-12-07 03:05:38 Theoretical chemistry Metadynamics Local Elevation Umbrella sampling Crystal structure Parallel tempering Force field Concurrent Versions System Simulation Chemistry Computational chemistry Molecular dynamics
8	ECCE 7.x RELEASE NOTES Version 7.0—August 1, 2013 Version 6.4—August 22, 2012 Version 6.3—April 4, 2012 Version 6.2—December 16, 2011 Version 6.1—July 25, 2011 Add to Reading List Source URL: ecce.emsl.pnl.gov Language: English - Date: 2013-07-31 11:54:02 Metadynamics Extensible Computational Chemistry Environment Properties of water Workflow Solvent Chemistry Solutions Solvation