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Computational Tools and Modeling
Electronic-Structure Modeling for Atomistic Understanding of Catalytic Materials with Real-World Distributions of Facets and Defects
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about Electronic-Structure Modeling for Atomistic Understanding of Catalytic Materials with Real-World Distributions of Facets and Defects
Multiscale Modeling of Solid-State Interfaces and Microstructures in High-Temperature Water Splitting Materials
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about Multiscale Modeling of Solid-State Interfaces and Microstructures in High-Temperature Water Splitting Materials
SeqQuest: Quantum Electronic Structure Code for Density Functional Theory Calculations in Solid State Systems
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about SeqQuest: Quantum Electronic Structure Code for Density Functional Theory Calculations in Solid State Systems
Prospective LCA Model for 1-GW Scale PEC Hydrogen Plant
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about Prospective LCA Model for 1-GW Scale PEC Hydrogen Plant
Ab Initio Modeling of Electrochemical Interfaces
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about Ab Initio Modeling of Electrochemical Interfaces
Moab: Particle-Based Mesh-Free Code for Modeling Heat Transfer, Phase Transition, and Topological Changes in Liquids
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about Moab: Particle-Based Mesh-Free Code for Modeling Heat Transfer, Phase Transition, and Topological Changes in Liquids
SPPARKS: Mesoscale Model for Simulating Microstructural Evolution of Materials
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about SPPARKS: Mesoscale Model for Simulating Microstructural Evolution of Materials
Peridigm: Code for Peridynamic Modeling of Constitutive Response and Material Failure
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about Peridigm: Code for Peridynamic Modeling of Constitutive Response and Material Failure
Socorro: Code for Highly Scalable Density-Functional-Theory Calculations of Extended Systems
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about Socorro: Code for Highly Scalable Density-Functional-Theory Calculations of Extended Systems
Fabrication of Designer Catalytic Electrode at Multiple Length Scales Using Additive Manufacturing
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about Fabrication of Designer Catalytic Electrode at Multiple Length Scales Using Additive Manufacturing
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