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Meeting 2017 TMS Annual Meeting & Exhibition
Symposium Computational Approaches to Materials for Energy Applications
Presentation Title Visual Search Strategies for Thermoelectrics
Author(s) David Joseph Singh
On-Site Speaker (Planned) David Joseph Singh
Abstract Scope Thermoelectric performance depends on a contraindicated combination of transport properties. In particular, it requires high conductivity, high thermopower and low thermal conductivity. The contradiction implied by the need for both high thermopower and high conductivity implies that excellent thermoelectric materials should have unusual electronic structures that are not described by simple isotropic parabolic band models. This talk presents a discussion of the unusual electronic features that can lead to high thermoelectric performance and search strategies for identifying candidate materials.
Proceedings Inclusion? Undecided


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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