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Searching Results for W9.29-10.3.08:
Welcome to the IMA
, Fadil Santosa
(IMA)
Coulomb resolution and low-rank approximations
, Peter M.W. Gill
(Australian National University)
Cholesky decomposition techniques in quantum chemical implementations
, Roland Lindh
(Lund University)
Coupled cluster approaches for modeling large molecular systems in various environments
, Karol Kowalski
(Pacific Northwest National Laboratory)
Conical intersections in quantum chemistry
, Spiridoula Matsika
(Temple University)
Second chances: Some problems for mathematicians in quantum chemistry
, Rodney J. Bartlett
(University of Florida)
Reconnecting wavefunction and density-functional theory
, Kieron J. Burke
(University of California, Irvine)
Tractable valence space models for strong electron correlations
, Martin Head-Gordon
(University of California, Berkeley)
The role of nonlocal exchange in density functionals
, Gustavo E. Scuseria
(Rice University)
On exact relations in DFT
, Melvyn P. Levy
(Duke University)
NSF CHE-DMR-DMS SOLAR energy initiative
, Henry A. Warchall
(Natinal Science Foundation)
Van der Waals interactions and density-functional theory
, Axel D. Becke
(Dalhousie University)
Second chances: Some challenges in DFT
, David J. Tozer
(University of Durham)
TBA
, Eberhard K. U. Gross
(Freie Universität Berlin)
New density functionals with broad applicability for thermochemistry, thermochemical kinetics, noncovalent interactions, transition metals, and spectroscopy
, Donald G. Truhlar
(University of Minnesota)
Open mathematical issues in quantum chemistry: a personal perspective
, Claude Le Bris
(CERMICS)
Exact embedding of local defects in crystals
, Mathieu Lewin
(Université de Cergy-Pontoise)
A linear scaling subspace iteration algorithm with optimally localized non-orthogonal wave functions for Kohn-Sham density functional theory
, Carlos J. Garcia-Cervera
(University of California, Santa Barbara)
Construction of exponentially localized Wannier functions
, Gianluca Panati
(Università di Roma "La Sapienza")
Second chances
, Heinz Siedentop
(Ludwig-Maximilians-Universität München)
A direct constrained minimization algorithm for solving the Kohn-Sham equations
, Chao Yang
(Lawrence Berkeley National Laboratory)
Augmented basis sets in finite cluster DFT
, James W. Davenport
(Brookhaven National Laboratory)
First-principles molecular dynamics for petascale computers
, François Gygi
(University of California, Davis)
Modern optimization tools and electronic structure calculations
, José Mario Martínez
(State University of Campinas (UNICAMP))
Partition-of-unity finite-element approach for large, accurate ab initio electronic structure calculations
, John E. Pask
(Lawrence Livermore National Laboratory)
Mathematical and algorithmic challenges in the simulation of electronic structure and dynamics on quantum computers
, Alán Aspuru-Guzik
(Harvard University)
Second chances
, François Gygi
(University of California, Davis)
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