Theory and Applications of Computational Chemistry (TACC)

Страна: США

Город: Seattle

Тезисы до: 31.05.2016

Даты: 28.04.16 — 02.09.16

Область наук: Химические;

Е-мейл Оргкомитета:

Организаторы: University of Washington in Seattle


 Theory and Applications of Computational Chemistry (TACC) is a conference that has traditionally been highly interdisciplinary and sought to provide an overview of the broad scope of theoretical and computational chemistry with presentations from a diverse representation of the research community. The conference is intended to convene leading researchers in computational chemistry and allied disciplines to present and discuss forefront research in the development and applications of chemical theory and computation. A broad range of fundamental and applied topics in chemistry, biochemistry, and materials science will be covered, including the development of new theories and methods as well as applications to the characterization of structures, properties, spectra, reactivity, and transport in complex chemical and materials environments and the tailored assembly of these environments. A special focus will be on approaches that bridge the gap between atomistic simulations and mesoscale phenomena and that exploit extreme-scale computing to advance the frontiers of computational chemistry.

Previous conferences were held in 2004 in Gyeongju, Korea, in 2008 in Shanghai, China (, and in 2012 in Pavia, Italy ( As a quadrennial series, TACC 2016 will be held on the campus of the University of Washington in Seattle, WA, USA, from August 28, 2016 to September 2, 2016. The conference will run from mid-afternoon on Sunday to mid-afternoon on Friday, with plenary sessions and parallel sessions. The program will have keynote lectures, plenary lectures, and parallel invited lectures as well as parallel contributed lectures and poster sessions.


Topics for contributed talk and poster sessions include the following application and method topics:
Application Topics

    Condensed Phase Chemistry
    Enzymatic Catalysis
    Gas Phase Chemistry
    Heavy Element Chemistry
    Heterogeneous Catalysis
    Interfacial Chemistry
    Materials for Energy Conversion
    Materials​​ for Energy Storage
    Molecular Catalysis
    Nucleation - Assembly

Method Topics

    Accelerated Dynamics
    Data Informatics and Machine Learning
    Density Functional Theory
    High Performance Computing
    Mesoscale Simulations​
    Non-adiabatic Dynamics
    Quantum Dynamics
    Quantum Monte Carlo
    Relativistic Methods
    Statistical Mechanics
    Time-dependent Theory and Excited States
    Wavefunction Theory

You will be asked to designate whether your proposal is for an oral presentation, a poster, or if it’s a presentation of either type.

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