Loren Data's SAM Daily™

FBO DAILY ISSUE OF JANUARY 06, 2005 FBO #1137
SOLICITATION NOTICE

D -- Maintenance (support and upgrades) for Accelrys Computational Chemistry Software

Notice Date

1/4/2005
 

Notice Type

Solicitation Notice
 

NAICS

541519 — Other Computer Related Services
 

Contracting Office

Department of Commerce, National Institute of Standards and Technology (NIST), Acquisition and Logistics Division, 100 Bureau Drive, Building 301, Room B129, Mail Stop 3571, Gaithersburg, MD, 20899-3571
 

ZIP Code

20899-3571
 

Solicitation Number

Reference-Number-05-838-3063
 

Response Due

1/21/2005
 

Archive Date

1/22/2005
 

Description

This is a notice of intent to award a sole source simplified acquisition under the authority of Federal Acquisition Regulation (FAR) 13.106-1(b) to Accelrys Software, Inc. of San Diego, CA. This acquisition is for licenses and maintenance of MS DMo13 software for the National Institute of Standards and Technology (NIST), Chemical Science and Technology Laboratory, Physical and Chemical Properties Division. NIST currently has other DMol3 licenses in-house, and has been generating results with the software. NIST must be able to compare the numerical results from the new software with the old DMol3 results, without having to recalculate previous results because of numerical differences between methods. DMol3 software from Accelrys is a program to perform quantum mechanical calculations using density functional theory on molecules, surfaces, and solids. They 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 known 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 we already have in-house. This notice of intent is not a request for competitive proposals; however, all proposals received on or before January 21, 2005, will be considered by the Government. No RFQ package is available. A determination by the Government not to compete this proposed action based on responses to this notice is solely within the discretion of the Government. Information received will normally be considered solely for the purpose of determining whether to conduct a competitive procurement.
 

Place of Performance

Address: 9685 Scranton Road, San Diego, CA

Zip Code: 921213752

Country: USA
 

Record

SN00729006-W 20050106/050104211645 (fbodaily.com)
 

Source

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

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