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Journal of the American Chemical Society
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RNA Synthesis
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ACS Central Science
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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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An additive reference correction scheme for the transcorrelated method
The Journal of Chemical Physics
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Real-Space Imaging of Thomson Charge Configurations in Superfluid Helium Nanodroplets
Physical Review Letters
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Fast and Accurate Equivariant Foundation Models for Atomistic Simulation
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An Atlas and Design Rules for Single- and Dual-Atom Alloys
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Breaking Water at Graphene Defects
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When is nanoconfined water different from interfacial water?
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Structure and dynamics of molecules in angstrom-scale confinement: general discussion
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Chemical pressure and vacancies in crystals under nonhydrostatic stress
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3D Printed X-ray Compatible Microfluidics for Online Characterization of Hexosomes: A Synchrotron SAXS-on-Chip Study with Molecular Dynamics Insights
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Presynaptic accumulation of APP-CTFβ may contribute to synaptic dysfunction in Alzheimer's disease.
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Moiré-Induced Symmetry Breaking of Charge Order in van der Waals Heterostructures.
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Long-Range Machine Learning of Electron Density for Twisted Bilayer Moiré Materials
PRX Intelligence
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An Energy Landscape for Elemental Carbon
The Journal of Physical Chemistry Letters
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17
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Path integral molecular dynamics framework for spin-phonon systems
The Journal of Chemical Physics
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Effective classical potential for quantum statistical averages
Phys Rev E
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Design Space of Self--Consistent Electrostatic Machine Learning Interatomic Potentials
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