Loren Data's SAM Daily™

FBO DAILY ISSUE OF MARCH 15, 2008 FBO #2301
SOLICITATION NOTICE

D -- Maintenance Renewal for Materials Studio and DMOL3 Licenses

Notice Date

3/13/2008
 

Notice Type

Solicitation Notice
 

NAICS

511210 — Software Publishers
 

Contracting Office

Department of Commerce, National Institute of Standards and Technology (NIST), Acquisition Management Division, 100 Bureau Drive, Building 301, Room B129, Mail Stop 1640, Gaithersburg, MD, 20899-1640, UNITED STATES
 

ZIP Code

00000
 

Solicitation Number

Reference-Number-NB844080-8-03884
 

Response Due

3/20/2008
 

Archive Date

4/4/2008
 

Point of Contact

Barbara Guise, Purchasing Agent, Phone (301) 975-6310, Fax (301) 975-6319, - Jo-Lynn Davis, Contract Specialist, Phone 301-975-6337, Fax 301-975-6319
 

E-Mail Address

barbara.guise@nist.gov, jo-lynn.davis@nist.gov
 

Description

The Department of Commerce/National Institute of Standards and Technology intends to negotiate on a sole source basis with Accelrys, Inc. 10188 Telesis Ct., Ste. 100, San Diego, CA to provide continued software maintenance for DMOL3 and the Materials Studio Visualizers. 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 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 requires 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 six(6) years to generate results. NIST needs to be able to compare the numerical results from new calculations with the old DMOL3 results, otherwise NIST has to repeat six (6) years worth of work because of numerical differences between methods. No other vendor offers DMOL3 or the MS Visulizer. Product must meet all applicable 508 Standards.
 

Place of Performance

Address: 100 BUREAU DRIVE, GAITHERSBURG, MD

Zip Code: 20899

Country: UNITED STATES
 

Record

SN01531604-W 20080315/080313223455 (fbodaily.com)
 

Source

FedBizOpps Link to This Notice
(may not be valid after Archive Date)

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