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Roadmap for Molecular Benchmarks in Nonadiabatic Dynamics
Journal of Physical Chemistry A
2025-07-19
Toward Quantum-Centric Simulations of Extended Molecules: Sample-Based Quantum Diagonalization Enhanced with Density Matrix Embedding Theory
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Molecular Dynamics Simulations of Betaine‐Based Ionic Liquids: A Comparative Study of Scaled Versus Full Charge Model
ChemPhysChem
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Three-Step Growth of Vapor-Deposited Ice under Mesospheric Temperature and Water Vapor Conditions
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Entanglement-induced provable and robust quantum learning advantages
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Unraveling the Handedness of Chiral Assemblies: The Hidden Role of Interchromophoric Interactions in Bisignate CD
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Unleashing the True Potential of Halide-Rich Perovskites in Superior Charge Transport Dynamics through Strategic Ligand Engineering
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Photodynamics simulation insights into excited-state relaxation mechanisms via Z/E isomerization in para-amino substituted GFP chromophores
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Study of Electron Capture by 5-Halogenated Cytosine in Gas and Condensed Phases
Journal of Physical Chemistry A
2025-08-05
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