CP2K

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11	ITR Collaborative Research: NOVEL SCALABLE SIMULATION TECHNIQUES FOR CHEMISTRY, MATERIALS SCIENCE, AND BIOLOGY Principal Investigators: R. Car and A. Selloni (Princeton U.), L. Kale and J. Torellas (U. of Add to Reading List Source URL: www.mcc.uiuc.edu Language: English - Date: 2011-12-30 23:13:08 Molecular dynamics Molecular modelling CP2K Algorithm Computer science Centre européen de calcul atomique et moléculaire Theoretical chemistry Science Chemistry Computational chemistry
12	Integrated Tools for Computational Chemical Dynamics (PNNL) October 2010 Add to Reading List Source URL: t1.chem.umn.edu Language: English - Date: 2011-07-05 23:52:49 Computational chemistry Density functional theory Theoretical chemistry NWChem Implicit solvation Q-Chem CP2K Adsorption Chemistry Science Molecular modelling