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1
Atomistic Simulations to Model Defect Formation, Diffusion, and Ordering in Cu(In,Ga)Se2 and Cd(Se,Te) Alloys
Atomistic Simulations to Model Defect Formation, Diffusion, and Ordering in Cu(In,Ga)Se2 and Cd(Se,Te) Alloys
Gehrke, Aaron. | University of Washington | 2024
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2
Neural Network Potentials for Atomistic Simulations of Reactive Chemistry
Neural Network Potentials for Atomistic Simulations of Reactive Chemistry
Gordon, Adrian M. | University of Minnesota | 2024
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3
Atomistic Simulations of Minerals at Extreme Conditions
Atomistic Simulations of Minerals at Extreme Conditions
Luo, Chenxing. | Columbia University | 2024
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4
Atomistic-Simulations of Silicate Glasses: Surface Water Reaction and Mechanochemical Wear Process
Atomistic-Simulations of Silicate Glasses: Surface Water Reaction and Mechanochemical Wear Process
Hahn, Seung Ho. | The Pennsylvania State University | 2020
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5
Study of ⟨a⟩-Type Screw Dislocations in α-Ti
Study of ⟨a⟩-Type Screw Dislocations in α-Ti
Jany, David. | University of California, Berkeley | 2025
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6
Multi-State Density Functional Theory (MS-DFT) and Multi-State Energy Decomposition Analysis (MS-EDA)
Multi-State Density Functional Theory (MS-DFT) and Multi-State Energy Decomposition Analysis (MS-EDA)
Hettich, Christian Peter. | University of Minnesota | 2025
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7
Atomistic Modeling of Graphene-Catalyst Interface and Graphene Edge Effects on Near Melting Temperature Substrates
Atomistic Modeling of Graphene-Catalyst Interface and Graphene Edge Effects on Near Melting Temperature Substrates
Ananthakrishnan, Ganesh. | University of Illinois at Urbana-Champaign | 2024
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8
Investigations of Point Defect Properties and Dislocation Mechanisms in the Equiatomic Nb-Mo-Ta-W Refractory Alloy by Computational Modeling and Simulations
Investigations of Point Defect Properties and Dislocation Mechanisms in the Equiatomic Nb-Mo-Ta-W Refractory Alloy by Computational Modeling and Simulations
Zhou, Xinran. | University of California, Los Angeles | 2024
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9
Computational Framework for the Ab Initio Description of Noncollinear Magnetism
Computational Framework for the Ab Initio Description of Noncollinear Magnetism
Moore, Guy Carleton. | University of California, Berkeley | 2024
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