- Today's Editor:
- Cleve Moler
- The MathWorks, Inc.
- moler@mathworks.com

- Computational Science Course on the Web
- European SGI/Cray MPP Workshop
- Conference on Preconditioning
- Faculty Positions at UCLA
- Postdoctoral Position at University of Oslo
- Postdoctoral Position at Bristol/Loughborough
- Postdoctoral Position at University of Concepcion, Chile
- Research Assistantships in Neuchatel and Zurich
- Contents, Computer Physics Communications

**URL for the World Wide Web:**
http://www.netlib.org/na-net/na_home.html

-------------------------------------------------------

From: Osman Yasar <oyasar@brockport.edu>

Date: Wed, 9 Aug 2000 23:25:42 -0400

**Subject: Computational Science Course on the Web**

Please be informed that I will be offering an online course next Fall.

This is an introductory course in computational science for entering

undergraduate (and perhaps even graduate) students. Would any of your

students have any interest in taking part in this? This course is

offered via SUNY Learning Network and more information is available at

http://www.cps.brockport.edu/sln.html.

Thanks..

Osman Yasar

Professor and Chair

Department of Computational Science

State University of New York - Brockport

http://www.cps.brockport.edu

------------------------------

From: Ben Jesson <b.jesson@man.ac.uk>

Date: Wed, 9 Aug 2000 14:12:42 +0100 (BST)

**Subject: European SGI/Cray MPP Workshop**

Sixth European SGI/Cray MPP Workshop

Manchester, UK

7th-8th September 2000

CALL FOR PARTICIPATION

This two-day workshop is aimed at application developers and end users

of massively-parallel computer systems such as the Cray T3E and Origin

2000, and will feature papers on subjects such as parallel

programming, performance optimisation, parallel numerical algorithms

and a number of computational science applications. Key-note

presentations on the future of high-performance computer systems will

be given by Silicon Graphics Inc. and Cray Inc. Please note that there

is no registration fee for the workshop. For full details, including

the workshop programme and registration information, please see:

http://www.man.ac.uk/mrccs/mpp-workshop6/

------------------------------

From: Esmond G Ng <EGNg@lbl.gov>

Date: Wed, 09 Aug 2000 14:32:22 -0700

**Subject: Conference on Preconditioning**

Preconditioning 2001 - Preliminary Announcement

The 2001 International Conference on Preconditioning Techniques for

Large Sparse Matrix Problems will be held Sunday, April 29th through

Tuesday, May 1st, 2001, at the Granlibakken Resort and Conference

Center in Tahoe City, California.

The conference chairs are

Esmond G. Ng, Lawrence Berkeley National Laboratory

Wei-Pai Tang, University of Waterloo, Canada

The program committee includes

Steven Ashby, Lawrence Livermore National Laboratory

Owe Axelsson, Katholieke Universiteit Nijmegen, Netherlands

Tony Chan, University of California, Los Angeles

Iain Duff, Rutherford Appleton Laboratory, UK

Howard Elman, University of Maryland

Gene Golub, Stanford University

David Keyes, The Old Dominion University

Daniel Pierce, The Boeing Company

Henk van der Vorst, Utrecht University, Netherlands

Preconditioning 2001 focuses on preconditioning techniques for solving

various matrix problems, particularly those that are relevant to

large-scale scientific and industrial applications.

There will be both invited talks as well as contributed talks. A call

for contributed papers is forthcoming.

For further information, please send email to

preconditioning2001@nersc.gov.

------------------------------

From: Jacquie Bauwens <jacquie@math.ucla.edu>

Date: Tue, 08 Aug 2000 09:26:50 -0700

**Subject: Faculty Positions at UCLA**

POSITIONS AVAILABLE IN THE DEPARTMENT OF MATHEMATICS, UNIVERSITY OF

CALIFORNIA, LOS ANGELES.

We invite applications for a variety of regular and temporary junior

faculty teaching positions in Pure & Applied Mathematics, VIGRE and in our

Program in Computing (PIC). Exceptional promise in research and teaching

is required.

E.R. Hedrick Assistant Professorships in Core Mathematics.

Assistant Professorships in Computational & Applied Mathematics (CAM).

Adjunct Assistant Professorships.

VIGRE Assistant Professorships.

Lectureship in the Program in Computing (PIC)

(An M.S. in Computer Science or equivalent degree is preferred).

Positions are subject to availability of resources and administrative approval.

Preference will be given to applications completed by January 8, 2001..

Detailed information available at http://www.math.ucla.edu/~search or

write to Staff Search, UCLA, Department of Mathematics, Los Angeles, CA

90095-1555. Email: search@math.ucla.edu. UCLA is an equal

opportunity/affirmative action employer.

------------------------------

From: Aslak Tveito <aslak@ifi.uio.no>

Date: Thu, 10 Aug 2000 13:02:29 +0200

**Subject: Postdoctoral Position at University of Oslo**

Postdoctoral position at the University of Oslo, Department of Informatics

The Scientific software group at the Department of Informatics has been

awarded funding for a two-year post-doc position. Applicants should

have completed, or be close to completing, a Ph.D. in scientific

computing, preferably within the field of computations based on partial

differential equations. Good programming skills and knowledge of

numerical methods are expected.

The activity of the group is presented at http://www.ifi.uio.no/~tpv/

For the post-doc project, we will focus on partial differential equations

arising in mathematical models for ultrasound applications. In medical

ultrasound imaging, the propagation of ultrasound energy is governed by

the linear and non-linear acoustic wave equation. In real-life imaging,

the medium is assumed to be homogenous, but in practice the velocity of

sound will vary. The purpose of this project is to establish a simulator

for wave propagation in human tissue in order to study problems like wave

propagation in lesions in the breast, and in general the effect of phase

aberrations on ultrasound images.

Candidates are encouraged to send an application including a CV and a

list of publications to:

Professor Aslak Tveito

Department of Informatics

The University of Oslo

P.O.Box 1080 Blindern

N-0316 Oslo

Norway

aslak@ifi.uio.no

------------------------------

From: A. R. Champneys <A.R.Champneys@bristol.ac.uk>

Date: Thu, 10 Aug 2000 14:15:45 +0100 (BST)

**Subject: Postdoctoral Position at Bristol/Loughborough**

2 year postdoc position at Bristol/Loughborough (UK)

Dr Alan Champneys (Dept of Engineering Mathematics, University of

Bristol) and Dr Vassilis Rothos (School of Mathematical Sciences,

University of Loughborough) are looking for a 2 year research assistant

to start as soon as possible, definitely by 1st Jan 2000.

The project is entitled

``A global approach to understanding localised structures

in nonlinear dispersive wave systems''

and will encompass a mixture of techniques from computational

mathematics/numerical analysis, dynamical systems and nonlinear waves.

A candidate holding (or just about to obtain) a PhD with expertise in

at least one, preferably two of these areas. The project is funded by

EPSRC. The grant also has money for visits from several experts in

this field to the UK with the aim of setting up international

collaboration.

The RA will be expected to divide his time between Loughborough and

Bristol with the specifics to be be decided by mutual arrangement.

Funding is available for a starting salary to point 8 on the UK

Research Assistant scale (18915 pounds per annum).

Further details are available on the web page

www.enm.bris.ac.uk/anm/rothos.html

Informal enquiries are welcome to

A.R.Champneys@bristol.ac.uk or V.M.Rothos@lboro.ac.uk

Hardcopy further details and an application form may be obtained by

phoning 0117 954 6947 or

minicom 0117 928 8894 or

email recruitment@bris.ac.uk

stating postal address only and quoting reference 6715

The completed application form together with a CV which includes the

name and address of 3 referees, should be sent to:

The Personnel Office

Senate House

University of Bristol

Bristol BS8 1TH

U.K.

Again quoting reference 6715.

CLOSING DATE FOR APPLICATIONS 15th SEPT 2000

------------------------------

From: Gabriel Gatica <Gabriel.Gatica@ing-mat.udec.cl>

Date: Wed, 09 Aug 2000 16:04:30 -0400

**Subject: Postdoctoral Position at University of Concepcion, Chile**

POSTDOCTORAL POSITION AT UNIVERSITY OF CONCEPCION, CHILE

The Department of Mathematical Engineering of the University of Concepcion

invites applications for 1 postdoctoral position in Mathematics. This is a

6 months-position starting not later than October 1, 2000, renewable for

additional 6 months. The research area must be one of the following:

Optimization, Partial Differential Equations, and Numerical Analysis.

The applicants must have a Ph. D. degree obtained during the last five years.

They must provide CV, statement of purpose, degree certificate and two

confidential letters of recommendation.

For more information write to Mrs. Cecilia Leiva at cleiva@ing-mat.udec.cl

Application Deadline: August 31, 2000.

Send application to:

DIRECTOR

Departamento de Ingenieria Matematica

Facultad de Ciencias Fisicas y Matematicas

Universidad de Concepcion

Casilla 160-C

Concepcion

Chile

Tel: 56-41-204526

Fax: 56-41-522055

------------------------------

From: Erricos John Kontoghiorghes <erricos.kontoghiorghes@info.unine.ch>

Date: Sat, 12 Aug 2000 13:48:09 +0100

**Subject: Research Assistantships in Neuchatel and Zurich**

Ph.D. Research Opportunity in

PARALLEL ALGORITHMS & ECONOMETRICS

Applications are invited for a Ph.D. studentships (research

assistantship) in the Department of Computer Science, University of

Neuchatel and ETHZ, Switzerland.

The project aims to extend recent research in the development of

parallel algorithms and efficient numerical tools for solving

large-scale econometric estimation problems. The various aspects of

the research include:

o Development of numerically efficient methods for solving

econometric estimation problems.

o The computational efficient solution of the various matrix

problems arising in the estimation methods.

o Parallelization of the algorithms.

Research is expected to be pursued in the three areas listed above.

The weight of research carried out into each topic will depend on the

skills of the researcher(s).

Applicants should be able to demonstrate good knowledge in two of the

following: Parallel Computing, Numerical Linear Algebra, and

Econometrics & Statistics (Linear Models). The working language will

be English.

Requests for further details and application in the form of CV (plain

text sent by e-mail - NO word docs, postscript or pdf) should be

directed to:

Erricos J. Kontoghiorghes <erricos.kontoghiorghes@info.unine.ch>

------------------------------

From: Elsevier <cdmailer@elsevier.co.uk>

Date: Sat, 5 Aug 2000 07:54:31 +0100 (BST)

**Subject: Contents, Computer Physics Communications**

Journal: Computer Physics Communications

ISSN : 0010-4655

Volume : 128

Issue : 1-2

Date : 09-Jun-2000

Visit the journal at http://www.elsevier.nl/locate/jnlnr/05194

pp xi-xii

Editorial(s)

pp 1-45

New algebraic formulation of density functional calculation

S. Ismail-Beigi, T.A. Arias

pp 46-54

Fully coupled six-dimensional calculations of rovibrational eigenstates of

floppy four-atom molecules

Z. Bacic

pp 55-66

Multithreaded shared memory parallel implementation of the electronic

structure code GAMESS

B. Bolding, K. Baldridge

pp 67-92

Linear-scaling parallel algorithms for the first principles treatment of

metals

S.C. Watson, E.A. Carter

pp 93-107

A general parallel sparse-blocked matrix multiply for linear scaling SCF

theory

M. Challacombe

pp 108-117

Parallel tight-binding molecular dynamics simulations on symmetric

multi-processing platforms

L. Colombo, M. Rosati

pp 118-127

Parallel computations of molecular dynamics trajectories using the

stochastic path approach

V. Zaloj, R. Elber

pp 128-138

Parallel spin-orbit coupled configuration interaction

J.L. Tilson, W.C. Ermler, R.M. Pitzer

pp 139-169

SCELib: A parallel computational library of molecular properties in the

single center approach

N. Sanna, F.A. Gianturco

pp 170-177

Parallelization of SCF calculations within Q-Chem

T.R. Furlani, J. Kong, P.M.W. Gill

pp 178-189

Parallel strategies for four-atom quantum dynamics calculations

E.M. Goldfield

pp 190-200

The Distributed Data Interface in GAMESS

G.D. Fletcher, M.W. Schmidt, B.M. Bode, M.S. Gordon

pp 201-209

Random walk beyond Hartree-Fock

J.E. Gubernatis, M. Guerrero^1

pp 210-218

Parallel molecular dynamics simulations of alkane/hydroxylated @a -aluminum

oxide interfaces

S. Roy, R.Y. Jin, V. Chaudhary, W.L. Hase

pp 219-237

Parallel atomistic simulations

G.S. Heffelfinger

pp 238-244

Multi-threading: A new dimension to massively parallel scientific computation

I.M.B. Nielsen, C.L. Janssen

pp 245-259

Multiresolution algorithms for massively parallel molecular dynamics

simulations of nanostructured materials

R.K. Kalia, T.J. Campbell, A. Chatterjee, A. Nakano, P. Vashishta, S. Ogata

pp 260-283

High performance computational chemistry: An overview of NWChem a

distributed parallel application

R.A. Kendall, E. Apra, D.E. Bernholdt, E.J. Bylaska^1, M. Dupuis^1, G.I.

Fann^1, R.J. Harrison^1, J. Ju, J.A. Nichols^1, J. Nieplocha^2, T.P.

Straatsma^1, T.L. Windus^1, A.T. Wong

pp 284-294

Parallel aspects of quantum molecular dynamics simulations of liquids

F. Hedman, A. Laaksonen

pp 295-314

Computational granularity and parallel models to scale up reactive

scattering calculations

A. Lagana, S. Crocchianti, A. Bolloni, V. Piermarini, R. Baraglia, R.

Ferrini, D. Laforenza

pp 315-325

Parallel implementation of a pseudo-spectral calculation of molecular

energy levels: Application to the water dimer (H "2 O) "2

P. Eggert, A. Viel, C. Leforestier

pp 326-332

Metacomputing, an emerging technology?

H.P. Luthi

pp 333-376

Exploiting multiple levels of parallelism in Molecular Dynamics based

calculations via modern techniques and software paradigms on distributed

memory computers

M.E. Tuckerman, D.A. Yarne, S.O. Samuelson, A.L. Hughes, G.J. Martyna

pp 377-385

NWChem: Exploiting parallelism in molecular simulations

T.P. Straatsma, M. Philippopoulos, J.A. McCammon

pp 386-398

Parallel computational studies of electron-molecule collisions

C. Winstead, V. McKoy

pp 399-411

Efficient parallel algorithms in global optimization of potential energy

functions for peptides, proteins, and crystals

J. Lee, J.x. Pillardy, C. Czaplewski, Y. Arnautova, D.R. Ripoll, A. Liwo,

K.D. Gibson, R.J. Wawak, H.A. Scheraga

pp 412-433

Parallel calculations of molecular properties

D. Jonsson, K. Ruud, P.R. Taylor

pp 434-445

Bound and quasi-bound rotation-vibrational states using massively parallel

computers

H.Y. Mussa, J. Tennyson

pp 446-464

Parallel Fourier Path-Integral Monte Carlo calculations of absolute free

energies and chemical equilibria

J. Srinivasan, Y.L. Volobuev, S.L. Mielke, D.G. Truhlar

pp 465-476

An MIMD strategy for quantum mechanical reactive scattering calculations

Y.L. Volobuev, D.G. Truhlar

pp 477-491

Parallel molecular dynamics simulations for short-ranged many-body

potentials

C.F. Cornwell, L.T. Wille

pp 492-495

Dynasol: A visual quantum dynamics package

T. Peng, D.H. Zhang, D.-Y. Wang, Y.-M. Li, J.Z.H. Zhang

pp 496-515

A parallel Full-CI algorithm

R. Ansaloni, G.L. Bendazzoli, S. Evangelisti, E. Rossi

pp 516-526

Stabilization methods for quantum mechanical resonance states of four-body

systems

Y.L. Volobuev, D.G. Truhlar

pp 527-530

Index

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End of NA Digest

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