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NWChem
Results: 30

#	Item
21	Program Report http://oasys.acs.org/acs/230nm/comp/programs/programreport.cgi?p... Emma M. Ortega, Jose L. Guinon, Jose Garcia-Anton, and Valentin Perez-Herranz, Departamento de Ingenieria Quimica y Nuclear, Universidad Add to Reading List Source URL: oldwww.acscomp.org Language: English - Date: 2011-07-01 06:30:52 Theoretical chemistry Molecular modelling Force field Molecular dynamics Docking Crystal Drug design NWChem Ab initio quantum chemistry methods Chemistry Science Computational chemistry
22	Through the years Located in Richland, Washington, PNNL is one among ten U.S. Department of Energy (DOE) national laboratories overseen by DOE’s Office of Science. Our research strengthens the U.S. foundation for inn Add to Reading List Source URL: www.pnl.gov Language: English - Date: 2013-09-19 18:11:36 Richland Washington Technology Energy conversion Nuclear technology Pacific Northwest National Laboratory Environmental Molecular Sciences Laboratory FreedomCAR and Vehicle Technologies NWChem Nuclear power Energy United States Department of Energy National Laboratories Tri-Cities Washington
23	A massively parallel tensor contraction framework for coupled-cluster computations Edgar Solomonik Devin Matthews Jeff Hammond Add to Reading List Source URL: www.eecs.berkeley.edu Language: English - Date: 2014-08-02 23:57:07 Theoretical physics Tensor contraction Tensor NWChem Symmetric tensor Einstein notation Recurrent tensor Penrose graphical notation Mathematics of general relativity Tensors Algebra Mathematics
24	Ariana Beste UT Staff Joint Institute for Computational Sciences Oak Ridge National Laboratory[removed]removed] Add to Reading List Source URL: cnms.ornl.gov Language: English - Date: 2013-07-19 13:40:17 Oak Ridge National Laboratory Chemistry Chemist Lignin Eugene Wigner Chemical reaction NWChem Science Battelle Memorial Institute Manhattan Project
25	Through the years Located in Richland, Washington, PNNL is one among ten U.S. Department of Energy (DOE) national laboratories overseen by DOE’s Office of Science. Our research strengthens the U.S. foundation for inn Add to Reading List Source URL: www.pnnl.gov Language: English - Date: 2013-09-19 18:11:36 Richland Washington Technology Energy conversion Nuclear technology Pacific Northwest National Laboratory Environmental Molecular Sciences Laboratory FreedomCAR and Vehicle Technologies NWChem Nuclear power Energy United States Department of Energy National Laboratories Tri-Cities Washington
26	DEPARTMENT OF ENERGY COMPUTATIONAL SCIENCE GRADUATE FELLOWSHIP DEIXIS THE ANNUAL Add to Reading List Source URL: www.krellinst.org Language: English - Date: 2014-04-30 12:16:31 United States Department of Energy National Laboratories Battelle Memorial Institute Tensor Crystal Molecular dynamics Computational chemistry Computational science Monte Carlo method NWChem Science Computing Chemistry
27	Through the years Located in Richland, Washington, PNNL is one among ten U.S. Department of Energy (DOE) national laboratories overseen by DOE’s Office of Science. Our research strengthens the U.S. foundation for inn Add to Reading List Source URL: www.pnnl.gov Language: English - Date: 2013-09-19 18:11:36 Richland Washington Technology Energy conversion Nuclear technology Pacific Northwest National Laboratory Environmental Molecular Sciences Laboratory FreedomCAR and Vehicle Technologies NWChem Nuclear power Energy United States Department of Energy National Laboratories Tri-Cities Washington
28	Through the years Located in Richland, Washington, PNNL is one among ten U.S. Department of Energy (DOE) national laboratories overseen by DOE’s Office of Science. Our research strengthens the U.S. foundation for inn Add to Reading List Source URL: www.pnl.gov Language: English - Date: 2013-09-19 18:11:36 Richland Washington Technology Energy conversion Nuclear technology Pacific Northwest National Laboratory Environmental Molecular Sciences Laboratory FreedomCAR and Vehicle Technologies NWChem Nuclear power Energy United States Department of Energy National Laboratories Tri-Cities Washington
29	Athl_UNT_Acad_WordMark_2Line.ai Add to Reading List Source URL: research.unt.edu Language: English - Date: 2011-11-08 14:31:42 Theoretical chemistry Computational science NWChem Molecular dynamics High-performance computing Peter Coveney Sidney Fernbach Award Chemistry Science Computational chemistry
30	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

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