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Computational and Theoretical Chemistry
Results: 190

#	Item
141	Focus Article An overview of the Amber biomolecular simulation package Romelia Salomon-Ferrer,1 David A. Case3 and Ross C. Walker1,2∗ Molecular dynamics (MD) allows the study of biological and chemical systems at Add to Reading List Source URL: ambermd.org Language: English - Date: 2012-10-02 08:29:23 Theoretical chemistry Computational chemistry Molecular dynamics Force fields Protein structure AMBER CHARMM Gaussian CUDA Chemistry Molecular modelling Science
142	Experiences Developing and Maintaining Scientific Applications on GPU-Accelerated Platforms John E. Stone Theoretical and Computational Biophysics Group Beckman Institute for Advanced Science and Technology Add to Reading List Source URL: rt.uits.iu.edu Language: English - Date: 2014-02-10 10:36:25 Graphics hardware Video cards Molecular modelling Visual Molecular Dynamics Bioinformatics Computational chemistry NAMD Beckman Institute GPGPU Science Application software Champaign County Illinois
143	Ab initio computational methods for the prediction of stability, structure and properties of minerals at high pressure and high temperature conditions Mauro Prencipe Dip. Scienze Mineralogiche e Petrologiche – Universi Add to Reading List Source URL: speakerd.s3.amazonaws.com Language: English - Date: 2014-06-04 10:41:22 Science Quantum mechanics Computational chemistry Theoretical chemistry Molecular Hamiltonian Born–Oppenheimer approximation Density functional theory Schrödinger equation Crystal Chemistry Physics Quantum chemistry
144	Research in Applied Mathematics in the UK The definition of Applied Mathematics employed in the Research Assessment Exercise reads as follows: Applied Mathematics consists of the development of, the analysis of, and the Add to Reading List Source URL: www.rae.ac.uk Language: English - Date: 2002-03-07 10:33:50 Knowledge Fields of mathematics Computational science Mathematical and theoretical biology Mathematical physics Computational mathematics Areas of mathematics Differential equation Theoretical chemistry Mathematics Science Applied mathematics
145	Computational Chemistry and Theoretical Molecular Physics publications[removed]Papers in Refereed Journals[removed]. "Molecular orbital assistance in the design of intramolecular and photoinduced Add to Reading List Source URL: www.eie.gr Language: English - Date: 2012-03-08 04:39:17
146	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
147	PDF Document Add to Reading List Source URL: www.rae.ac.uk Language: English - Date: 2002-03-07 10:33:50 Knowledge Fields of mathematics Computational science Mathematical and theoretical biology Mathematical physics Computational mathematics Areas of mathematics Differential equation Theoretical chemistry Mathematics Science Applied mathematics
148	Volume 101, Number 4, July–August[removed]Journal of Research of the National Institute of Standards and Technology [J. Res. Natl. Inst. Stand. Technol. 101, [removed]Effective Action Approach to Bose-Einstein Add to Reading List Source URL: physics.nist.gov Language: English - Date: 2010-08-23 01:31:59 Theoretical chemistry Computational chemistry Hamiltonian Operator theory IIHF World U18 Championships – Division II Physics Chemistry Quantum chemistry
149	Research Associate, Protein Design Methods Zymeworks Inc. is a Canadian biotechnology company that is developing computational methods for designing protein therapeutics. We combine high performance computing, visualiza Add to Reading List Source URL: www.zymeworks.com Language: English - Date: 2014-07-29 14:22:08 Protein structure Chemistry Computational biology Molecular modelling Mathematical and theoretical biology Protein design Molecular dynamics Protein–protein interaction prediction Protein structure prediction Science Biology Bioinformatics
150	S e c t i o n Tw o AERONAUTICS Areas of Study and Research Add to Reading List Source URL: catalog.caltech.edu Language: English - Date: 2012-06-18 15:46:09 Engineering education Engineering physics Chemist Computational science Computational biology Biological engineering Mathematical and theoretical biology Biophysics Theoretical chemistry Science Knowledge Academia

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