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physics.comp-ph2020
Uncertainty Quantification in Atomistic Modeling of Metals and its Effect on Mesoscale and Continuum Modeling A Review
Joshua J. Gabriel, Noah H. Paulson, Thien C. Duong +4
The design of next-generation alloys through the Integrated Computational Materials Engineering (ICME) approach relies on multi-scale computer simulations to provide thermodynamic…
physics.comp-ph2018
Autonomous Efficient Experiment Design for Materials Discovery with Bayesian Model Averaging
Anjana Talapatra, Shahin Boluki, Thien Duong +3
The accelerated exploration of the materials space in order to identify configurations with optimal properties is an ongoing challenge. Current paradigms are typically centered aro…