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About this Symposium
Meeting 2017 TMS Annual Meeting & Exhibition
Symposium Computational Approaches to Materials for Energy Applications
Sponsorship TMS Extraction and Processing Division
TMS Light Metals Division
TMS: Energy Committee
Organizer(s) Laurent Chaput, LEMTA
Scope During the last few years theoretical approaches to materials for energy applications, like solar energy conversion, thermoelectricity, ect, have become more quantitatives. For example, they allow to guide experiments through a very detailed understanding of the underlying mechanisms, or even through the
screening of a large number of compounds to find new materials with specific properties.
The purpose of this symposium is to highlight the recent computational advances which would find applications in the search of new materials and devices for energy applications.
Therefore the topics for this year will include, but are limited too : transport theory, many body perturbations theory for electrons and phonons, multiscale modeling and datamining.
Abstracts Due 07/17/2016
Proceedings Plan Undecided
PRESENTATIONS APPROVED FOR THIS SYMPOSIUM INCLUDE

Ab Initio Calculations of Carrier Radiative Lifetimes
Accelerated Discovery of Novel Low-thermal-conductivity Crystals by First-principles Data-driven Approach
Design of Heteroepitaxialy Grown Quantum Dots Under External Force Fields
Different Aspects of Disorder in Materials for Energy Conversion Studied by the KKR-CPA Calculation
Energy Landscape of Point Defects in Body-centered-cubic Metals
First Principles Calculations of the Stability and Physical Properties of Thermoelectric Materials
Monte Carlo Modeling of Phonon Transport in Nanostructures
Optimizing Materials for Solar Energy Conversion: In Search for Descriptors
Structure Prediction in Novel Energy Materials Design
Systematic Search for Lithium Ion Conducting Compounds by Screening of Compositions Combined with Atomistic Simulation
Tuning Thermal Conductivity of Metal-Organic–Frameworks
Visual Search Strategies for Thermoelectrics


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