SPECIAL NOTICE
D -- NOTICE OF INTENT-128 DMol3 Computational Software Licenses
- Notice Date
- 7/22/2020 2:45:41 PM
- Notice Type
- Special Notice
- NAICS
- 511210
— Software Publishers
- Contracting Office
- DEPT OF COMMERCE NIST GAITHERSBURG MD 20899 USA
- ZIP Code
- 20899
- Solicitation Number
- NB686
- Response Due
- 7/28/2020 1:00:00 PM
- Archive Date
- 08/12/2020
- Point of Contact
- Angela L. Hitt, Phone: 3034977305
- E-Mail Address
-
angela.hitt@nist.gov
(angela.hitt@nist.gov)
- Description
- The National Institute of Standards and Technology (NIST) Acquisition Management Division, intends to negotiate with Astrix Technology Group, located in Red Bank, NJ, on a sole source basis under the authority of FAR Subpart 13.106-1(b), soliciting from a single source to purchase software maintenance for 128 DMol3 computational software licenses and the 5 Materials Studio Visualizers/Interfaces. NIST requires the DMol3 software program, by Accelrys Software, Inc., to perform quantum mechanical calculations using density functional theory on molecules, surfaces, and solids.� The key feature for performance and function are the numerical atom-centered basis sets, which allow the same level of theory to be used for small organic molecules as for small organic molecules as for solids and surfaces. Other solid-state codes that use a planewave basis set require very high-energy cutoffs, large memory, and long computation time that make describing molecular adsorption and hydrogen problematic and inefficient.� No other commercial code has numerical basis sets.� DMol3 is also an all electron code and does not require the use of less accurate pseudopotentials or muffin tins to describe core electrons.� NIST also require that the results be accessible through the Cerius2 and Materials Studio visualizers and interface software, which NIST already has in-house. DMol3 is NIST�s primary computational �instrument�, and NIST has been using it for more than 13 years to generate results.� NIST needs to be able to compare the numerical results from calculations with the old DMol3 results, otherwise NIST has to repeat 13 years of work because of numerical differences between methods. The NAICS Code is 511210, Software Publisher, with a small business size standard of $41.5M. NIST anticipates negotiating and awarding a firm-fixed-price contract to Astrix Technology for this requirement. Interested parties that can demonstrate they could satisfy the requirement listed above for NIST must clearly and unambiguously identify their capability to do so in writing on or before the response date for this notice. This notice of intent is not a solicitation. Information submitted in response to this notice will be used solely to determine whether competitive procedures could be used for this acquisition. If competitive procedures are not used it is estimated that an award will be issued by 08/31/2020. Any questions regarding this notice must be submitted in writing via email to angela.hitt@nist.gov. All responses to this notice of intent must be submitted to angela.hitt@nist.gov no later than 07/28/2020, at 2 p.m. MST.
- Web Link
-
SAM.gov Permalink
(https://beta.sam.gov/opp/37ab4d3c36b944bc80ccccbac81cde2a/view)
- Place of Performance
- Address: Boulder, CO 80305, USA
- Zip Code: 80305
- Country: USA
- Zip Code: 80305
- Record
- SN05728994-F 20200724/200722230140 (samdaily.us)
- Source
-
SAM.gov Link to This Notice
(may not be valid after Archive Date)
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