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CAREER: Bayesian Symmetry-Respecting Machine Learning Framework for Predicting Electronic — NSF Award to Michigan Technological Un

Electronic-structure methods have a profound impact on several disciplines, especially materials research, as demonstrated by extensive studies in this field and the discovery of numerous advanced materials and devices with widespread applications. However, large-scale electronic structure calculations are prohibitivel

Award titleCAREER: Bayesian Symmetry-Respecting Machine Learning Framework for Predicting Electronic
Award ID2442313
AwardeeMichigan Technological University
CityHOUGHTON
StateMI
Amount obligated$669,490
Principal investigatorSusanta Ghosh
ProgramMechanics of Materials and Str, CAREER: FACULTY EARLY CAR DEV
Start date09/01/2025
AbstractElectronic-structure methods have a profound impact on several disciplines, especially materials research, as demonstrated by extensive studies in this field and the discovery of numerous advanced materials and devices with widespread applications. However, large-scale electronic structure calculations are prohibitively expensive. Machine learning models can accelerate these simulations, but current models often lack one or more of the following: uncertainty quantification, preservation of symme
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