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Computational Modeling

Bridging the gap between density functional theory and quantum materials

Sep 26, 2022

Nature Computational Science, 2022, 2, 529-532

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Criticality of Inverter Controller Order in Power System Dynamic Studies – Case Study: Maui Island

Sep 18, 2022

ELECTRIC POWER SYSTEMS RESEARCH, 2023, 214, 108789

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Density functional thermodynamic description of spin, phonon and displacement degrees of freedom in antiferromagnetic-to-paramagnetic phase transition in YNiO3

Aug 20, 2022

Materials Today Physics, 2022, 27, 100805

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How the Bioinspired Fe2Mo6S8 Chevrel Breaks Electrocatalytic Nitrogen Reduction Scaling Relations

Jul 11, 2022

J. Am. Chem. Soc., 2022, 144, 28, 12800-12806

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Intrinsic local symmetry breaking in nominally cubic paraelectric BaTiO3

Jun 10, 2022

Phys. Rev. B., 2022, 105, 224108

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Improved Representation of Horizontal Variability and Turbulence in Mesoscale Simulations of an Extended Cold-Air Pool Event

Jun 7, 2022

J. Appl. Met. Clim., 2022, 685-707

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Geometric transformation and three-dimensional hopping of Hopf solitons

May 27, 2022

Nature Communications, 2022, 13, 2986

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Synchronization in electric power networks with inherent heterogeneity up to 100% inverter-based renewable generation

May 5, 2022

Nature Communications, 2022, 13, 2490

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Modeling the Local Environment within Porous Electrode during Electrochemical Reduction of Bicarbonate

Apr 22, 2022

Ind. Eng. Chem. Res., 2022, 61, 29, 10461-10473

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Predictive energetic tuning of C-Nucleophiles for the electrochemical capture of carbon dioxide

Apr 15, 2022

iScience, 2022, 25, 4, 103997

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