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The Journal of Physical Chemistry Letters
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From Accurate Quantum
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Journal of the American
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Stacking-Controlled Reactivity and Friction of Water in Atomic-Scale hBN Channels from First Principles
The Journal of Physical Chemistry C
(2026)
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InterPro: the protein sequence classification resource in 2027
Nucleic Acids Res
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Real-Space Imaging of Thomson Charge Configurations in Superfluid Helium Nanodroplets
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Efficient searches for low-energy structures in clusters with thousands of particles: Application to the Thomson problem.
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Protein Language Model Guided Optimization for AAV Capsid Design
Nature Biotechnology
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pymatgen: 15 years of community growth, new functionality, and future prospects
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Electrostatic control of chromatin compaction safeguards against apoptotic DNA release.
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The AML-Associated A338V Mutation Rewires GPR183 Signaling through C‑Terminal Ensemble Redistribution
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How Good Is DFT for Solid-Liquid Interfaces? A Comparison With the Random-Phase Approximation for Water on Graphene
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RNA Synthesis and Degradation Regulate Biomolecular Condensates through Nonequilibrium Feedback
ACS Central Science
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Efficient Searches for Low-Energy Structures in Clusters with Thousands of Particles: Application to the Thomson Problem
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Ring Currents in Open-Shell Condensed Benzenoid Homologues of Some Extended Clar's Goblets.
The Journal of Physical Chemistry A
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Assessing the Transferability of General-Purpose MachineLearning Interatomic Potentials for Heterogeneous Catalysis with HetCat26
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PepSpace: An Automated, Physics-Driven Directed Evolution Platform for the De Novo Design of Specific Peptide Binders and Condensate Modulators
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An additive reference correction scheme for the transcorrelated method.
Journal of Chemical Physics
(2026)
165
121101
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Fast and Accurate Equivariant Foundation Models for Atomistic Simulation
(2026)
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Molecular simulations of chromatin-associated biomolecular condensates
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An Atlas and Design Rules for Single- and Dual-Atom Alloys
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Thermal conductivity predictions with foundation atomistic models
Nat Commun
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