Center for Scientific Computation and Mathematical Modeling Center for Scientific Computation and Mathematical Modeling

 Research Activities > Programs > QCP 2010

Quantum-Classical Modeling of Chemical Phenomena

 March 8-11, 2010

CSIC Building (#406), Seminar Room 4122.

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Following up on the announcement made during the workshop -
two new NSF solicitations:

Computing in the Cloud

Infrastructure for Sustained Innovation (SI2)

You are welcome to contact program directors Evelyn Goldfiel or Estela Blaisten at the Division of Chemistry.

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Organizing Committee Scientific Scope Schedule Photos
Funding Confirmed Participants Information for Participants  
Contact Poster Lectures Acknowledgment





Millard Alexander Department of Chemistry & Biochemistry, Univ. of Maryland
Victor Batista Department of Chemistry, Yale University
Shi Jin Deptartment of Mathematics, University of Wisconsin
Eitan Tadmor Department of Mathematics & CSCAMM, Univ. of Maryland


REGISTRATION IS CLOSED. Participants were requested to pre-register and confirmation of approved applicants were emailed on or before February 1st. Confirmed participants can access their record at here.
Due to the large number of applications, we regret that RSVP is now closed to new applicants.


This workshop will focus on deterministic and stochastic methods for sparse representations and simulations of quantum transport and quantum reaction dynamics. The aim is to bring together a group of experts in Applied Mathematics, Physics and Theoretical Chemistry to examine the current state of development of numerical techniques and foster interdisciplinary research in the development of computational methods at the interface of quantum and classical dynamics. Fundamental challenges in simulations of quantum dynamics will be addressed within the context of molecular dynamics, including wave-packet propagation methods, density functional theory methods (Car-Parrinello molecular dynamics CPMD), and hybridization of computational schemes linking classical and quantum theories such as quantum-classical coupling, surface-hopping and semiclassical methods.

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NSF Partial funding provided by the
National Science Foundation, Division of Chemistry.


Name Affiliation
Millard Alexander University of Maryland
Claude Bardos University of Paris VII
Victor Batista Yale University
Estela Blaisten-Barojas National Science Foundation
Wei Cai University of North Carolina at Charlotte
Sugata Chowdhury George Mason University
Feizhi Ding New Mexico State University
Weinan E Princeton University
Carlos Garcia-Cervera University of California, Santa Barbara
Evelyn Goldfield National Science Foundation
George Hagedorn Virginia Tech
Sharon Hammes-Schiffer Penn State University
Michael Herman Tulane University
Haiyan Jiang University of North Carolina at Charlotte
Shi Jin University of Wisconsin-Madison
Ilja Klebanov Freie Universitt Berlin
Claude Le Bris CERMICS - ENPC
Lin Lin Princeton University
Jian-Guo Liu Duke University
Cynthia Lo Washington University in St. Louis
Jianfeng Lu Duke University
Nancy Makri University of Illinois
David Manolopoulos Oxford University
William Miller University of California, Berkley
Pingbing Ming Chinese Academy of Sciences
Manikandan Paranjothy Texas Tech University
Kyoyeon Park Texas Tech University
Oleg Prezhdo University of Washington
Peng Qi University of Wisconsin-Madison
Eitan Tadmor University of Maryland
Guohua Tao University of California, Berkeley
Mark Tuckerman New York University
Suleyman Ulusoy University of Maryland
Haobin Wang New Mexico State University
John Weeks University of Maryland
Dongming Wei University of Wisconsin - Madison
XU YANG Princeton University
Weitao Yang Duke University
Tang-Qing Yu New York University

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A limited amount of funding for participants at all levels is available, especially for researchers in the early stages of their career who want to attend the full workshop.

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CSCAMM Visitor Guide:


Center for Scientific Computation And Mathematical Modeling (CSCAMM)
Computer Science Instructional Center (Building #406)
University of Maryland, College Park
College Park, MD 20742-3289


Web: /programs/qcp10


Poster is available here.


Photo gallery from this conference can be viewed here.

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CSCAMM is part of the
College of Computer, Mathematical & Natural Sciences (CMNS)