NIST Technicalendar March 6 to March 10, 2000 The NIST Technicalendar is issued each Friday. All items MUST be submitted electronically from this web page by 12:00 NOON each Wednesday unless otherwise stated in the NIST Technicalendar. The address for online weekly editions of the NIST Technicalendar and NIST Administrative Calendar is: http://www.nist.gov/tcal/.
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In this Issue: Meetings at NIST Meetings Elsewhere Announcements Talks by NIST Personnel NIST Web Site Announcements NIST Administrative Calendar (current)   NIST Vacancy Announcements (current)

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No Scheduled Events

1:00 PM - Devising Effective Parallel Algorithms

10:45 AM - Evidence of Charged Transfer in YBa2FeO8 by the Bond Valence Method
1:00 PM - A Workshop on the Matrix Eigenvalue Problem
1:30 PM - XML for technical disciplines

10:30 AM - NEW ADJUSTMENT OF THE FUNDAMENTAL CONSTANTS
10:30 AM - A Roadmap for the Calculation of Molecular Binding Energies

10:30 AM - In Pursuit of Pulsars
10:30 AM - Impact of the Recent Progress in Numerical Calculations on Combustion Science and Technology
10:30 AM - NATA Accreditation - NATA Activities, Impact of ISO/IEC 17025, Measurement and Traceability

3/6 -- MONDAY

No Scheduled Events

3/7 -- TUESDAY

1:00 PM - MATHEMATICAL AND COMPUTATIONAL SCIENCES DIVISION SEMINAR: Devising Effective Parallel Algorithms
Bruce Hendrickson , Parallel Computing Sciences Dept., Sandia National Laboratories.
Bldg. 820 (NIST North), Rm. 145. (NIST Contact: Bill Mitchell, 301-975-3808, william.mitchell@nist.gov)


3/8 -- WEDNESDAY

10:45 AM - NIST CENTER FOR NEUTRON RESEARCH SEMINAR: Evidence of Charged Transfer in YBa2FeO8 by the Bond Valence Method
Tony Santoro , Physicist.
Bldg. 235, Rm. E100. (NIST Contact: Julie Borchers, 301-975-6597, julie.borchers@nist.gov)

1:00 PM - MATHEMATICAL AND COMPUTATIONAL SCIENCES DIVISION SEMINAR: A Workshop on the Matrix Eigenvalue Problem
WORKSHOP DATES: WEDNESDAY, FEBRUARY 2, 2000--WEDNESDAY, MARCH 8, 2000 This series of six lectures (HELD EACH WEDNESDAY FROM FEBRUARY 2 - MARCH 8, 2000, at 1:00 p.m.) will treat the numerical solution of matrix eigenvalue problems with emphasis on the widely used QR algorithm. The focus will be on the algorithms themselves and how they work.
G. W. (Pete) Stewart , Department of Computer Science, University of Maryland, College Park, MD.
NIST North Bldg, Room 618. (NIST Contact: Bill Mitchell, 301-975-3808, william.mitchell@nist.gov)

1:30 PM - STANDARD REFERENCE DATA PROGRAM SEMINAR: XML for technical disciplines
Peter Murray-Rust , Virtual School of Molecular Sciences, School of Pharmacy, University of Nottingham.
Administration Bldg, Lecture Rm. D. (NIST Contact: Bijan Mashayekhi, 301-975-3289, bijan.mashayekhi@nist.gov)


3/9 -- THURSDAY

10:30 AM - ATOMIC PHYSICS DIVISION SEMINAR: NEW ADJUSTMENT OF THE FUNDAMENTAL CONSTANTS
New values of the fundamental physical constants have been recommended by the Committee on Data for Science and Technology (CODATA) for international use. The least-squares method, as applied to the 1998 adjustment of the constants, and the experiments and theory that most strongly influenced the values of the constants will be outlined in this talk.
Peter Mohr , Atomic Physics Division, NIST, Gaithersburg, MD, peter.mohr@nist.gov.
Radiation Physics Building, Room B105. (NIST Contact: Patricia Elspas, 301-975-3708, patricia.elspas@nist.gov)

10:30 AM - CHEMICAL SCIENCE AND TECHNOLOGY LABORATORY SEMINAR: A Roadmap for the Calculation of Molecular Binding Energies
During the past decade, dramatic progress has been made in the electronic structure theory of molecules. This is the result of two discoveries reported in 1989: an accurate method for solving the electronic Schrödinger equation that is applicable to a broad range of molecules-the CCSD(T) method-and a hierarchy of basis sets that systematically converge to the complete basis set limit-the correlation consistent basis sets. The former is important as a benchmark against which to compare less accurate, but also less computationally-intensive methods. The latter is important as it allows the error in a given calculation to be dissected into the electronic structure method error, [De(¥)-De(expt'l)], the error intrinsic to the method used to solve the Schrödinger equation; and the basis set convergence error, [De(n)-De(¥)], the error due to truncation of the basis set. Analysis of the methods and convergence errors leads to clear guidelines for ab initio calculations of the binding energies of molecules-from the strong bonds derived from chemical interactions to the extremely weak binding due to dispersion interactions. It has also led to some surprises, e.g., it has unequivocally shown that Møller-Plesset perturbation theory is not suitable for the calculation of bond energies of molecules to chemical accuracy, i.e., with errors of less that 1 kcal/mol. This applies whether one is interested in absolute bond energies or relative bond energies. Although the analysis is focused on the calculation of molecular binding energies, this same approach can be readily extended to other molecular properties. This sets the stage for the quantification of quantum chemistry, thereby dramatically increasing the usability of quantum chemical calculations as a predictive tool.
Thom Dunning , Office of Science, US Dept. of Energy, Germantown, MD.
Administration Bldg, Lecture Rm. C. (NIST Contact: Ellyn Beary, 301-975-4138, ellyn.beary@nist.gov)


3/10 -- FRIDAY

10:30 AM - DIRECTOR'S OFFICE, NIST SEMINAR: In Pursuit of Pulsars
The discovery of pulsars, or neutron stars, took the astronomical community by surprise, so bizarre are these objects. They have about the same mass as our sun but are only about 10 km in radius. A piece about the size of a sugar cube would weigh 100 million tons. Neutron stars can rotate hundreds of times per second. Some 30 years later these objects have stretched our understanding of the behavior of matter at high densities, high speeds, and high fields. They serve as extremely precise clocks against which to check our own clocks, and with which to carry out high precision experiments. Some of the highlights from this new branch of astronomy will be presented and explained. Jocelyn Bell-Burnell and Antony Hewish discovered the first pulsar in 1967. The Jody Foster movie, "Contact," was loosely based on the events surrounding this discovery. The Nobel Prize was awarded for the discovery in 1974.
Jocelyn Bell-Burnell , Chairman, Dept. of Physics, The Open University.
Administration Building, Green Auditorium. (NIST Contact: Barbara Coalmon, 301-975-4203, coalmon@nist.gov)
Special Assistance is Available

10:30 AM - FIRE RESEARCH SEMINAR: Impact of the Recent Progress in Numerical Calculations on Combustion Science and Technology
Tadao Takeno , Professor, Department of Mechanical Engineering, Nagoya University, Nagoya-City, Japan.
Polymer Bldg, Rm. B245. (NIST Contact: Tony Putorti, 301-975-6172, tputorti@nist.gov) http://www.bfrl.nist.gov/info/seminars/mar10-2000.takeno.htm

10:30 AM - ANALYTICAL CHEMISTRY DIVISION SEMINAR: NATA Accreditation - NATA Activities, Impact of ISO/IEC 17025, Measurement and Traceability
Regina Robertson , National Association of Testing Authorities.
Bldg. 227, Rm. A202. (NIST Contact: Willie May, 301-975-3108, willie.may@nist.gov)


ADVANCE NOTICE

3/22/00 9:00 AM - FABRICATION TECHNOLOGY DIVISION SEMINAR: Basic Machine Shop Safety Workshop
This workshop demonstrates basic safety practices for using drill presses, pedestal grinders, belt sanders, and band saws. This workshop is also a prerequisite for qualified personnel to be tested for restricted use of machine tools in designated Contact Shops. This workshop is recommended for all NIST personnel using basic shop tools. NOTE: Please register by March 17. If you register and find later you can't attend, please call and cancel so someone else can have your space.
John Evans , Supervisor, Special Shops, FTD.
Shops Building, Room 126. (NIST Contact: John Evans, 301-975-6515, ja.evans@nist.gov)

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MEETINGS ELSEWHERE


3/6 -- MONDAY

11:00 AM - CORE PARTICIPATION IN MANTLE GEOCHEMISTRY
D. Walker , Lamont-Doherty Earth Observatory.
Seminar Rm., Main Bldg., GL-DTM Grounds, Carnegie Institution of Washington, DC. (NIST Contact: - -, 202-686-2410, -)

10:00 AM - COOPERATION AND LEARNING IN MULTIPLE ROBOT TEAMS
L. Parker , Computer Science and Mathematics Division, Center for Engineering Science Advanced Research, Oak Ridge National Lab..
Bldg, Rm. .
NCARAI Conf. Rm., Bldg. 256, Bolling AFB, Washington, DC. (NIST Contact: - -, 202-404-7036, symposia@aic.nrl.navy.mil) http://avalon.epm.ornl.gov/~parkerle



3/7 -- TUESDAY

No Scheduled Events

3/8 -- WEDNESDAY

No Scheduled Events

3/9 -- THURSDAY

11:00 AM - TBA
J. Reedijk , Leiden.
Reiss Science Bldg., Rm. 262, GU, Washington, DC. (NIST Contact: Prof. Pope, 202-687-6073, -)



3/10 -- FRIDAY

No Scheduled Events

ADVANCE NOTICE

No Scheduled Events

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TALKS BY NIST PERSONNEL

GUPTA, R. : POSTER: "SYNCHROTRON AND EXCIMER-LASER INDUCED RADIATION DAMAGE STUDY IN PHOTODIODES IN THE VUV SPECTRAL RANGE..
SPIE Organization, Santa Clara, CA, 2/27.

PITTS, W. : AN INVESTIGATION OF EXTINGUISHMENT BY THERMAL AGENTS USING DETAILED CHEMICAL KINETIC MODELING OF OPPOSED JET DIFFUSION FLAMES.
15th US/Japan Natural Resource Panel on Fire Research and Safety, San Antonio, TX, 3/3.

PIERCE, D. : MAGNETIC ORDER IN FE/CR MULTILAYERS.
Institute for Chemical Research, Kyoto University, Kyoto, Japan, 3/6.

PITTS, W. : IMPROVED REAL-SCALE FIRE MEASUREMENTS HAVING MEANINGFUL UNCERTAINTY LIMITS.
15th US/Japan Natural Resource Panel on Fire Research and Safety, San Antonio, TX, 3/7.

POIRIER, G. : PHASE BEHAVIOR IN AMPHIPHILE MONOLAYERS.
University of Minnesota, Minneapolis, MN, 3/8.

PIERCE, D. : INDUCED CR SPIN DENSITY WAVE ORDER IN FE/CR/FE(001) TRILAYERS.
International Symposium on Nanoscale Magnetism and Transport, Sendai, Japan, 3/9.

SUENRAM, R. : APPLICATION OF FOURIER TRANSFORM MICROWAVE SPECTROSCOPY TO PINENE DETECTION.
PITTCON 2000, New Orleans, LA, 3/12.

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ANNOUNCEMENTS

THE EUROPEAN COMMISSION COMMUNITY RESEARCH
Fifth Framework Programme (FP5) Second Call for Proposals For those of you that are doing research with colleagues in Europe, here is another opportunity for your counterparts to submit proposals to the FP5. The FP5 sets out the priorities for the European Union’s research, technological development and demonstration (RTD) activities for the period 1998-2002. A second call for proposals has been announced and is restricted to the RTD subjects listed in the website. The deadline is March 31, 2000. The selection criteria relevant to this call as well as information on rules and on how to prepare and submit proposals are given in the FP5 website, http://www.cordis.lu/fp5
NIST Contact: Magdalena Navarro, 301-975-2130, magdalena.navarro@nist.gov

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NIST WEB SITE ANNOUNCEMENTS

No Web Site announcements this week.

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For more information, contact Ms. Sharon Mingo, Editor, Stop 2500, National Institute of Standards and Technology, Gaithersburg MD 20899-2500; Telephone: 301-975-TCAL (8225); Fax: 301-926-4431; or Email: tcal@nist.gov.

All lectures and meetings are open unless otherwise stated.

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