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Colloidal aggregation dynamics in curing systems unified by the number of cluster bonds
Journal of Molecular Liquids
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Control simulations of many-body quantum systems by a synergism of discrete real-time learning and optimal control theory
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TS2CG as a Membrane Builder
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Incorporating local step-size adaptivity into the no-U-turn sampler using Gibbs self-tuning
Journal of Chemical Physics
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Exact lattice summations for Lennard-Jones potentials coupled to a three-body Axilrod–Teller–Muto term applied to cuboidal phase transitions
Journal of Chemical Physics
2025-09-05
The Arch from the Stones: Understanding Protein Folding Energy Landscapes via Bioinspired Collective Variables
Journal of Physical Chemistry Letters
2025-09-09
Reactive Active Learning: An Efficient Approach for Training Machine Learning Interatomic Potentials for Reacting Systems
Journal of Chemical Theory and Computation
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Martini 3 Coarse-Grained Models for Carbon Nanomaterials
Journal of Chemical Theory and Computation
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Bright, Stable, and Active: Surface Engineered Blue-Emitting InP Quantum Dots for Photoinduced Charge Separation in Water
Journal of Physical Chemistry Letters
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Vibrational Stabilization in Cyclacene Carbon Nanobelts
Journal of Physical Chemistry A
2025-09-08
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