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Publications in Mechanics of Materials
A High-Throughput Framework for Determining Adsorption Energies on Solid Surfaces
npj Computational Materials
Mechanics of Materials
Materials Science
Simulation
Computer Science Applications
Modeling
Atom Table Convolutional Neural Networks for an Accurate Prediction of Compounds Properties
npj Computational Materials
Mechanics of Materials
Materials Science
Simulation
Computer Science Applications
Modeling
Spin Coherence in Two-Dimensional Materials
npj Computational Materials
Mechanics of Materials
Materials Science
Simulation
Computer Science Applications
Modeling
Charge Carrier Transition in an Ambipolar Single-Molecule Junction: Its Mechanical-Modulation and Reversibility
npj Computational Materials
Mechanics of Materials
Materials Science
Simulation
Computer Science Applications
Modeling
First-Principles Calculation of Intrinsic Defect Chemistry and Self-Doping in PbTe
npj Computational Materials
Mechanics of Materials
Materials Science
Simulation
Computer Science Applications
Modeling
The Role of Decomposition Reactions in Assessing First-Principles Predictions of Solid Stability
npj Computational Materials
Mechanics of Materials
Materials Science
Simulation
Computer Science Applications
Modeling
Time-Dependent Density-Functional Theory Molecular-Dynamics Study on Amorphization of Sc-Sb-Te Alloy Under Optical Excitation
npj Computational Materials
Mechanics of Materials
Materials Science
Simulation
Computer Science Applications
Modeling
Towards Efficient Data Exchange and Sharing for Big-Data Driven Materials Science: Metadata and Data Formats
npj Computational Materials
Mechanics of Materials
Materials Science
Simulation
Computer Science Applications
Modeling
The Open Quantum Materials Database (OQMD): Assessing the Accuracy of DFT Formation Energies
npj Computational Materials
Mechanics of Materials
Materials Science
Simulation
Computer Science Applications
Modeling
Phonon Broadening in High Entropy Alloys
npj Computational Materials
Mechanics of Materials
Materials Science
Simulation
Computer Science Applications
Modeling
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