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Profile
Thomas Purcell
Assistant Professor, Chemistry and Biochemistry-Sci
Chemistry & Biochemistry - Science
Overview
Research
More
Publications
(15)
Recent
Accelerating materials-space exploration for thermal insulators by mapping materials properties via artificial intelligence
2023
materials science,
artificial intelligence,
space exploration,
thermal insulators,
materials properties mapping
Recent advances in the SISSO method and their implementation in the SISSO+ code
2023
machine learning,
materials science,
data analysis,
computational chemistry,
software development
Anharmonicity in Thermal Insulators: An Analysis from First Principles
2023
thermal insulators,
anharmonicity,
first principles,
analysis,
thermal conductivity
SISSO+ A C+ Implementation of the Sure-Independence Screening and Sparsifying Operator Approach
2022
machine learning,
computational chemistry,
feature selection,
high performance computing,
algorithm optimization
Hierarchical Symbolic Regression for Identifying Key Physical Parameters Correlated with Bulk Properties of Perovskites
2022
symbolic regression,
perovskites,
physical parameters,
bulk properties,
hierarchical modeling
FHI-vibes: Ab Initio Vibrational Simulations
2020
molecular dynamics,
computational chemistry,
vibrational spectroscopy,
quantum mechanics,
materials science
Anharmonicity measure for materials
2020
materials,
anharmonicity,
measure,
materials science,
physics
Constrained Geometry Relaxations in Materials Science
2019
materials science,
geometry,
constrained systems,
relaxation processes,
materials engineering
Erratum: “Modeling optical coupling of plasmons and inhomogeneously broadened emitters” J. Chem. Phys. 150, 124112 2019)
2019
plasmonics,
optical coupling,
emitters,
modeling,
chemical physics
Modeling optical coupling of plasmons and inhomogeneously broadened emitters
2019
plasmonics,
optical modeling,
emitters,
coupling,
broadening
