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Conférences - Chimie physique
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Sélecionner un pays: Portugal (1) - Royaume-Uni (1) - République tchèque (1) - États-Unis (2) TOUS LES PAYS
| 2.Computational Chemistry | | Dates | 22 Jul 2012 → 27 Jul 2012 | [ID=455492]  | | Lieu | West Dover, VT, États-Unis | | Organisateur | Gordon Research Conferences | | Résumé | The Computational Chemistry GRC has been held biennially since 1986, with chairs alternating between industry and academia. Computational Chemistry has traditionally spanned many separate fields, two of which are quantum chemistry and classical molecular modelling and simulation. These two worlds are now becoming increasingly coupled and it is one of the aims of the 2012 conference to highlight challenges at the boundaries where these come together. Topics will range from ab initio quantum chemistry and density functional theory for large complex systems to combined quantum/classical techniques to large scale simulations of biomolecules and polymers. There will be a focus on industrial applications as well as applications in astrochemistry. There will be an emphasis on methodological developments in areas such as polarizable force fields. The 2012 conference will adhere to the traditional GRC format: talks and posters will focus on new, unpublished work; extensive time will be set aside for discussion; and poster sessions will allow participants to show and discuss their work. It will bring together leading scientists from industry, academia and government to debate the latest advances in the field and to outline the challenges to come. | | Page web | http://www.grc.org/programs.aspx?year=2012&program=compchem | | Sujets apparentés | Chimie informatique |
| 3.ICERM Topical Workshop: Bridging Scales in Computational Polymer Chemistry | | Dates | 06 Aou 2012 → 10 Aou 2012 | [ID=462962]  | | Lieu | Providence, RI, États-Unis | | Résumé | Many important advances in material and biomedical science will come from controlling the chemical properties and nanoscale morphology of polymer mixtures. Predicting the longtime continuum-level properties of such complex systems poses a canonical computational challenge due to the disparate length and time scales separating the molecular description from the macroscopic behavior, particularly the evolution of morphology. This workshop focuses on four overlapping approaches to bridging this gap: Accelerated Molecular Methods, Coarse-Graining of Molecular Dynamics, Computational Approaches to Self-Consistent Mean Field, and Coupled Molecular and Continuum-Variational models. The goal is to spur the development of hybrid computational methods with the capacity to identify and characterize the rare events and the driving forces which steer the systems towards equilibrium, and connect the burgeoning growth in parallel-computation techniques for particle-based systems with recently developed classes of continuum models. | | Sujets | Computational Polymer Chemistry | | Page web | http://icerm.brown.edu/tw12-4-bscpc | | Sujets apparentés | Chimie organique et polymères | | | | | 4.ICPOC 21: 21st IUPAC International Conference on Physical Organic Chemistry | | Dates | 09 Sep 2012 → 13 Sep 2012 | [ID=444890]  | | Lieu | Durham University, Royaume-Uni | | Page web | http://www.rsc.org/ConferencesAndEvents/RSCConferences/ICPOC21/index.asp | | Sujets apparentés | Chimie organique et polymères | | | | | 5.ESOR 2013 — European symposium on Organic Reactivity | | Dates | 01 Sep 2013 → 06 Sep 2013 | [ID=449948]  | | Lieu | Prague, République tchèque | | Résumé | The ESOR Symposia are dedicated to fundamental research in organic chemistry and related areas, emphasizing the understanding of reactions (e.g., mechanisms, energetics) as well as the structures of compounds and materials. Experimental as well as theoretical contributions are welcomed with a particular preference for multidisciplinary approaches. The program will include plenary and invited lectures, oral presentations, poster presentations, and an exhibition. We wish to cover all important areas of physical-organic chemistry and its interactions with other sciences, e.g., mechanistic studies as a driving force in modern synthesis, physical-organic chemistry of complex systems, new experimental and theoretical methods in organic chemistry. | | Sujets | Organic chemistry, physical chemistry, reaction mechanisms, reaction kinetics, spectroscopy | | Page web | http://www.uochb.cz/web/structure/1073.html | | Contact | Detlef Schroder, IOCB, Prague | | Sujets apparentés | Chimie organique et polymères | | | |
Dernière mise à jour: 23 janvier 2012
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