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Computational Modeling

A perspective on lessons learned and future needs for wind energy field campaigns
Jun 20, 2025
JOURNAL OF RENEWABLE AND SUSTAINABLE ENERGY, 2025, 17, 032302
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Efficient super-reducing organic photoredox catalysis with proton-coupled electron transfer mitigated back electron transfer
Jun 19, 2025
SCIENCE, 2025, 388, 6753, 1294-1300
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Emergent Dimer-Model Topological Order and Quasiparticle Excitations in Liquid Crystals: Combinatorial Vortex Lattices
Jun 6, 2025
PHYSICAL REVIEW X, 2025, 15, 021084
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Alloying multiple halide perovskites on the same sublattice in search of stability and target band gaps
Jun 6, 2025
MATERIALS HORIZONS, 2025, ASAP
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TiSe2 is a band insulator created by lattice fluctuations, not an excitonic insulator
May 26, 2025
NPJ COMPUTATIONAL MATERIALS, 2025, 11, 152
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Rate-limiting regimes in photochemical H2 generation by complexes of colloidal CdS nanorods and hydrogenase
May 23, 2025
CHEM, 2025, 102594
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Elucidating Charge Carrier Reactivity, Conversion, and Degradation in n-Doped Oligo- and Poly(benzodifurandione)
May 21, 2025
JOURNAL OF THE AMERICAN CHEMICAL SOCIETY, 2025, 147, 22, 19372-19379
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Role of magnetic and structural symmetry breaking in forming the Mott insulating gap in Nb3⁢Cl8
Apr 14, 2025
PHYSICAL REVIEW B, 2025, 111, 155122
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Numerical simulations of three-dimensional ion crystal dynamics in a Penning trap using the fast multipole method
Apr 8, 2025
JOURNAL OF PLASMA PHYSICS, 2025, 91, 2, E53
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Lunar Power Grid: Network Structure and Spontaneous Synchronization
Apr 7, 2025
IEEE ACCESS, 2025, 13, 63120-63128
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