In this Let’s Talk Exascale podcast, researchers from the NWChemEx project team describe how they are readying the popular code for Exascale. NWChemEx is about a rewrite of a computational chemistry ...
In this special guest feature, Mike Bernhardt from Intel discusses the importance of code modernization with PNNL’s Karol Kowalski, Capability Lead for NWChem Development. Mike Bernhardt: NWChem is an ...
The workshop is a joint venture of NSCCS, PNNL and Env-Rad-Net. NWChem is actively developed by a consortium of developers and maintained by the EMSL located at the Pacific Northwest National ...
A team of researchers at the Lawrence Berkeley National Laboratory (Berkeley Lab), Pacific Northwest National Laboratory (PNNL) and Intel are working hard to make sure that computational chemists are ...
(Phys.org) —Molecular dynamics simulations often require too much time to be practical for simulating important chemical processes that take place on long timescales. Using EMSL-developed NWChem, ...
A recent special issue in The Journal of Chemical Physics highlights Pacific Northwest National Laboratory's (PNNL) contributions to developing two prominent open-source software packages for ...
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