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NWChem

Software ·
DOI:https://doi.org/10.11578/dc.20240613.3· OSTI ID:code-128811 · Code ID:128811
 [1];  [2];  [2];  [2];  [2];  [3];  [4];  [5];  [6];  [7];  [8]
  1. Pacific Northwest National Laboratory (PNNL), Richland, WA (United States). Environmental Molecular Sciences Laboratory (EMSL)
  2. Pacific Northwest National Laboratory (PNNL), Richland, WA (United States)
  3. Stony Brook Univ., NY (United States)
  4. Oak Ridge National Laboratory (ORNL), Oak Ridge, TN (United States)
  5. Brookhaven National Laboratory (BNL), Upton, NY (United States)
  6. Lawrence Berkeley National Laboratory (LBNL), Berkeley, CA (United States)
  7. Iowa State Univ., Ames, IA (United States)
  8. US Department of Energy (USDOE), Washington, DC (United States). Office of Science, Basic Energy Sciences (BES)
+ Show Developer Affiliations
NWChem is a computational chemistry software package which includes quantum chemical and molecular dynamics functionality. It aims to be scalable both in its ability to treat large problems efficiently, and in its usage of available parallel computing resources.
Software Type:
Scientific
License(s):
Other (Commercial or Open-Source)
Programming Language(s):
C; Fortran; Python
Research Organization:
Pacific Northwest National Laboratory (PNNL), Richland, WA (United States)
Sponsoring Organization:
USDOE Office of Science (SC), Biological and Environmental Research (BER)
Primary Award/Contract Number:
AC05-76RL01830
DOE Contract Number:
AC05-76RL01830
Code ID:
128811
OSTI ID:
code-128811
Country of Origin:
United States

Similar Records

NWChem
Book · Sat Apr 30 00:00:00 EDT 2011 · OSTI ID:1040984
NWChem: a Comprehensive and Scalable Open-Source Solution for Large Scale Molecular Simulations
Journal Article · Wed Sep 01 00:00:00 EDT 2010 · Computer Physics Communications, 181(9):1477-1489 · OSTI ID:988650
NWChem: a comprehensive and scalable open-source solution for large scale molecular simulations
Journal Article · Thu Dec 31 23:00:00 EST 2009 · Computer Physics Communications · OSTI ID:989703

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