Office of Science

Software developed at EMSL

EMSL scietist have developed software to help you with your research.

Visit the EMSL software wiki for a listing of software available for you to download.

Molecular Science Software Suite

Molecular science software development is focused on the Molecular Science Software Suite, MS3. [Winner of a 1999 R&D 100 Award and a 2000 FLC Award].

MS3 is a comprehensive, integrated set of tools that enables scientists to understand complex chemical systems at the molecular level by coupling the power of advanced computational chemistry techniques with existing and rapidly evolving high-performance, massively parallel computing systems. The suite includes NWchem, Ecce, and ParSoft.

Software Export Control Statement

The following statement applies to all EMSL software that may be available through the EMSL web site:

Please note that this software may be restricted from export to certain destinations in accordance with U.S. Government regulations and policy. Evidence of nationality and authenticity of requestor may be required.

None of the Software or underlying information or technology may be downloaded or otherwise exported or re-exported (i) into (or to a national or resident of) Cuba, Iraq, Libya, North Korea, Iran, Syria or any other country to which the U.S. Government has embargoed goods; or (ii) to anyone on the U.S. Treasury Department's list of Specially Designated Nationals or the U.S. Commerce Department's Table of Denial Orders. By downloading or using the software, you are agreeing to the foregoing and you are representing and warranting that you are not located in, under the control of, or a national or resident of any such country or on any such list.

Computing Capability Lead (MS3):Karol Kowalski | , 509-371-6445