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Publications in Simulation

Atomic and Electronic Basis for the Serrations of Refractory High-Entropy Alloys

npj Computational Materials
Mechanics of MaterialsMaterials ScienceSimulationComputer Science ApplicationsModeling
2017English

Geometry-Aware Cell Detection With Deep Learning

mSystems
EvolutionEcologyGeneticsMolecular BiologyBiochemistrySystematicsMicrobiologySimulationComputer Science ApplicationsBehaviorModelingPhysiology
2020English

The Study of Magnetic Topological Semimetals by First Principles Calculations

npj Computational Materials
Mechanics of MaterialsMaterials ScienceSimulationComputer Science ApplicationsModeling
2019English

First Principles Calculation of Spin-Related Quantities for Point Defect Qubit Research

npj Computational Materials
Mechanics of MaterialsMaterials ScienceSimulationComputer Science ApplicationsModeling
2018English

Drug Repurposing of Bromodomain Inhibitors as Potential Novel Therapeutic Leads for Lymphatic Filariasis Guided by Multispecies Transcriptomics

mSystems
EvolutionEcologyGeneticsMolecular BiologyBiochemistrySystematicsMicrobiologySimulationComputer Science ApplicationsBehaviorModelingPhysiology
2019English

Identifying Quasi-2d and 1D Electrides in Yttrium and Scandium Chlorides via Geometrical Identification

npj Computational Materials
Mechanics of MaterialsMaterials ScienceSimulationComputer Science ApplicationsModeling
2018English

Systems-Level Analysis of Oxygen Exposure in Zymomonas Mobilis: Implications for Isoprenoid Production

mSystems
EvolutionEcologyGeneticsMolecular BiologyBiochemistrySystematicsMicrobiologySimulationComputer Science ApplicationsBehaviorModelingPhysiology
2019English

Stabilizing Mechanism of Single-Atom Catalysts on a Defective Carbon Surface

npj Computational Materials
Mechanics of MaterialsMaterials ScienceSimulationComputer Science ApplicationsModeling
2020English

Construction of Ground-State Preserving Sparse Lattice Models for Predictive Materials Simulations

npj Computational Materials
Mechanics of MaterialsMaterials ScienceSimulationComputer Science ApplicationsModeling
2017English

High-Throughput Prediction of the Ground-State Collinear Magnetic Order of Inorganic Materials Using Density Functional Theory

npj Computational Materials
Mechanics of MaterialsMaterials ScienceSimulationComputer Science ApplicationsModeling
2019English

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