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Mechanism of Molecular Triplet Excited State Generation in Quantum Dot-Molecule Complex
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Exploring Grain Boundaries and Phase Boundaries Through Monte Carlo Simulation
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Development and Applications of Orthogonality Constrained Density
Functional Theory for the Accurate Simulation of X-Ray Absorption
Spectroscopy
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Automatic active space selection for the driven similarity renormalization group method
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Simulation of Membrane Proteins and Lipids: Dynamic Behavior of a Small Antimicrobial Peptide
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Structural Factors of Radical-Enhanced Intersystem Crossing of Organic Chromophores
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Potential energy surface and applications to carbon dioxide-water, carbon dioxide clathrate hydrate and hydrated HCl system
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