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Computational Modeling

Hidden magnetism and split off flat bands in the insulator metal transition in VO2

Sep 13, 2024

NPJ COMPUTATIONAL MATERIALS, 2024, 10, 217

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R&D 100 Winners for 2024 are Announced

Aug 8, 2024

August 2024

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Tuning the activation function to optimize the forecast horizon of a reservoir computer

Jul 12, 2024

JOURNAL OF PHYSICS: COMPLEXITY, 2024, 5, 035004

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Control Co-Design of Wind Turbines

Jul 1, 2024

ANNUAL REVIEW OF CONTROL, ROBOTICS, AND AUTONOMOUS SYSTEMS, 2024, 7, 201-226

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Impact of symmetry breaking and spin-orbit coupling on the band gap of halide perovskites

Jun 1, 2024

PHYSICAL REVIEW B, 2024, 110, 035160

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Computationally Guided Discovery of Mixed Mn/Ni Perovskites for Solar Thermochemical Hydrogen Production at High H2 Conversion

May 31, 2024

CHEMISTRY OF MATERIALS, 2024, 36, 11, 5331-5342

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Insights into Electrochemical CO2 Reduction on Metallic and Oxidized Tin Using Grand-Canonical DFT and In Situ ATR-SEIRA Spectroscopy

May 14, 2024

ACS CATALYSIS, 2024, 14, 8353-8365

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Revealing the Singlet Fission Mechanism for a Silane-Bridged Thienotetracene Dimer

May 8, 2024

JOURNAL OF PHYSICAL CHEMISTRY A, 2024, 128, 20, 3982-3992

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Interpreting accelerated tests on perovskite modules using photooxidation of MAPbI3 as an example

May 7, 2024

CELL REPORTS PHYSICAL SCIENCE, 2024, 5, 5, 101969

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Mapping the Binary Covalent Alloy Space to Pursue Superior Nitrogen Reduction Reaction Catalysts

May 5, 2024

ADVANCED ENERGY MATERIALS, 2024, 2304559

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