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11
Atomic-Scale Simulations of Solvent Decomposition and Solid-State Ion Transport in Alkaline-Based Batteries.
Atomic-Scale Simulations of Solvent Decomposition and Solid-State Ion Transport in Alkaline-Based Batteries.
Fuhst, Mallory R.Applied Physics. | University of Michigan. | 2024
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12
Ordered Monolayers and Supramolecular Assemblies on 2D TMDs and Graphite Using Monomeric and Dimeric Porphyrins.
Ordered Monolayers and Supramolecular Assemblies on 2D TMDs and Graphite Using Monomeric and Dimeric Porphyrins.
Grorud, Andrew Peter.Chemistry. | The University of Chicago. | 2024
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13
A Machine Learning-Driven Methodology for the Design of Exchange-Correlation Functionals.
A Machine Learning-Driven Methodology for the Design of Exchange-Correlation Functionals.
Bystrom, Kyle.Engineering and Applied Sciences - A | Harvard University. | 2024
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14
Atomistic Simulations of Minerals at Extreme Conditions.
Atomistic Simulations of Minerals at Extreme Conditions.
Luo, Chenxing.Materials Science and Engineering. | Columbia University. | 2024
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15
Nanotubes from First Principle and Data-Driven Methods: Real and Reimagined.
Nanotubes from First Principle and Data-Driven Methods: Real and Reimagined.
Yu, Hsuan Ming.Materials Science and Engineering 0 | University of California, Los Angeles. | 2024
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16
Grand Canonical Approach to Modeling Dynamic Catalysts: From Thermal to Electro-Catalysis, From Clusters to Surfaces.
Grand Canonical Approach to Modeling Dynamic Catalysts: From Thermal to Electro-Catalysis, From Clusters to Surfaces.
Zhang, Zisheng.Chemistry 0153. | University of California, Los Angeles. | 2024
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17
Finite Size Effects, Machine Learning DFT Functionals and Intermolecular Interaction Energies From Self-Consistent GW.
Finite Size Effects, Machine Learning DFT Functionals and Intermolecular Interaction Energies From Self-Consistent GW.
Chen, Yuting.Chemistry. | University of Michigan. | 2024
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18
Insights Into Solid Electrolytes From Long-Time and Large-Size Scale Simulations With Machine Learning Interatomic Potentials.
Insights Into Solid Electrolytes From Long-Time and Large-Size Scale Simulations With Machine Learning Interatomic Potentials.
Qi, Ji.Materials Science and Engineering. | University of California, San Diego. | 2024
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19
Simulations of Chemical Kinetics for Single-Molecule Catalysis.
Simulations of Chemical Kinetics for Single-Molecule Catalysis.
An, Suming.Chemistry. | University of Colorado at Boulder. | 2024
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20
Synthesis and Catalysis Across a Series of Lanthanide Scandates.
Synthesis and Catalysis Across a Series of Lanthanide Scandates.
Greenstein, Emily P.Materials Science and Engineer | Northwestern University. | 2024
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