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Molecular dynamics
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#	Item
661	1367-2630_16_8_082001.pdf Add to Reading List Source URL: www.cse-lab.ethz.ch Language: English - Date: 2014-09-01 07:51:12 Physics Aerodynamics Carbon nanotube Navier–Stokes equations Hagen–Poiseuille equation No-slip condition Reynolds number Molecular dynamics Fluid dynamics Fluid mechanics Dynamics
662	Bayesian uncertainty quantification and propagation in molecular dynamics simulations: A high performance computing framework Panagiotis Angelikopoulos, Costas Papadimitriou, and Petros Koumoutsakos Citation: J. Chem. Ph Add to Reading List Source URL: www.cse-lab.ethz.ch Language: English - Date: 2012-11-15 12:28:26 Bayesian statistics Econometrics Statistical theory Confidence interval Bayes estimator Markov chain Likelihood function Normal distribution Regression analysis Statistics Estimation theory Statistical inference
663	Article pubs.acs.org/JPCB Data Driven, Predictive Molecular Dynamics for Nanoscale Flow Simulations under Uncertainty Panagiotis Angelikopoulos,† Costas Papadimitriou,‡ and Petros Koumoutsakos,† Add to Reading List Source URL: cse-lab.ethz.ch Language: English* - Date: 2014-02-11 19:45:20 Bayesian statistics Computational chemistry Molecular dynamics Molecular modelling Bayes factor Uncertainty analysis Calibration Uncertainty quantification Prior probability Statistics Measurement Operations research
664	Article pubs.acs.org/JPCB Experimental and Modeling Studies of an Unusual Water-Filled Pore Structure with Possible Mechanistic Implications in Family 48 Cellulases Add to Reading List Source URL: bioenergycenter.org Language: English - Date: 2014-11-12 12:38:02 Integral membrane proteins Electrophysiology Catalysis Molecular biology Protein families Enzyme Molecular dynamics Ion channel SDS-PAGE Biology Chemistry Biochemistry
665	[removed]%2Fs10570[removed]pdf Add to Reading List Source URL: bioenergycenter.org Language: English - Date: 2013-08-19 14:08:59 Enzymes Molecular dynamics Molecular modelling Strain Cellulase Glucose Hydrogen bond Cellulosic ethanol Cyclohexane conformation Chemistry Stereochemistry Computational chemistry
666	International Journal of Multiphase Flow[removed]–79 Contents lists available at SciVerse ScienceDirect International Journal of Multiphase Flow j o u r n a l h o m e p a g e : w w w . e l s e v i e r . c o m / l Add to Reading List Source URL: ctflab.mae.cornell.edu Language: English - Date: 2013-12-11 12:18:54 Chemical engineering Aerodynamics Piping Settling Sediment transport Particle-laden flows Molecular diffusion Fluidized bed Turbophoresis Fluid mechanics Fluid dynamics Dynamics
667	ACTC Poster Abstracts, 2011 Adding Dynamical Insight to X-ray Images by Solution and Crystal Molecular Dynamics Simulation Logan S. Ahlstrom and Osamu Miyashita Add to Reading List Source URL: www.telluridescience.org Language: English - Date: 2011-06-29 12:10:45 Nanomaterials Nanoparticle Nanotechnology Ultraviolet radiation Quantum chemistry Electron Spectroscopy Molecular dynamics Chemical bond Chemistry Physics Science
668	2798 J. Chem. Theory Comput. 2009, 5, 2798–2808 Scaling of Multimillion-Atom Biological Molecular Dynamics Simulation on a Petascale Supercomputer Add to Reading List Source URL: bioenergycenter.org Language: English - Date: 2010-03-03 10:22:16 Molecular modelling Molecular dynamics Intermolecular forces Molecular physics Ewald summation GROMACS Anton Periodic boundary conditions NAMD Chemistry Science Computational chemistry
669	PRISM Seminar Series – Spring[removed]Chandler A. Becker Material Measurement Laboratory National Institute of Standards and Technology Gaithersburg, MD Add to Reading List Source URL: www.purdue.edu Language: English Engineering Science Integrated computational materials engineering National Institute of Standards and Technology Molecular dynamics Force field ICME cyberinfrastructure Chemistry Molecular modelling Materials science
670	Inaugural-Dissertation zur Erlangung der Doktorwürde der Naturwissenschaftlich-Mathematischen Gesamtfakultät der Add to Reading List Source URL: archiv.ub.uni-heidelberg.de Language: English Inorganic solvents Oxides Surface chemistry Properties of water Protein adsorption Hydrophobe Molecular dynamics Adsorption Self-assembled monolayer Chemistry Intermolecular forces Supramolecular chemistry

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