Frontiers of Computational Materials
INVITED · A6 ·
Presentations
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Multiscale Modeling of Solidification Microstructure: Atomic-Scale Simulations of Crystal-Melt Interfaces and Beyond
COFFEE_KLATCH · Invited
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Authors
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Mark Asta
- Department of Chemical Engineering and Materials Science
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Reliable First-Principles Alloy Thermodynamics via Optimal, Truncated Cluster Expansions
COFFEE_KLATCH · Invited
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Authors
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Duane Johnson
- Department of Materials Science and Engineering, and Materials Computation Center, University of Illinois at Urbana-Champaign
- Department of Materials Science and Engineering, UIUC
- Materials Science and Engineering, University of Ilinois Urbana-Champaign
- Department of Materials Science and Engineering, University of Illinois at Urbana-Champaign.
- Department of Materials Science and Engineering
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Realistic nanostructures from first-principles: fluxional handles to control the conductance of carbon nanotubes
COFFEE_KLATCH · Invited
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Authors
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Nicola Marzari
- Department of Materials Science and Engineering, MIT, Cambridge, MA, USA
- DMSE, Massachusetts Institute of Technology
- Department of Materials Science and Engineering, Massachusetts Institute of Technology
- Department of Materials Science and Engineering and Institute for Soldier Nanotechnologies, MIT
- MIT
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Evolutionary approach for determining first-principles model Hamiltonians
COFFEE_KLATCH · Invited
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Authors
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Gus L. W. Hart
- Northern Arizona University
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Prediction of new crystal structure phases in metal borides
COFFEE_KLATCH · Invited
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Authors
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Aleksey Kolmogorov
- Duke University
- Duke University (USA)
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