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ACS Omega
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Visualizing the energy landscape for a molecular dynamics trajectory.
The Journal of Chemical Physics
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ACS Physical Chemistry Au
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Spectroscopic Signatures of Structural Disorder and Electron‐Phonon Interactions in Trigonal Selenium Thin Films for Solar Energy Harvesting
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Weak unitary symmetries of open quantum dynamics: beyond quantum master equations
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Cadmium and Zinc-Doped p-type Sb2Se3 Single Crystals and Solar Cells
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How accurate are DFT forces? Unexpectedly large uncertainties in molecular datasets
The Journal of chemical physics
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Inhibition of IRAK4 by microbial trimethylamine blunts metabolic inflammation and ameliorates glycemic control
Nat Metab
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Topological Ring Currents in Open-Shell Homologues of Clar's Goblet and Triangulene
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Monte Carlo methods, 70 years after “Equation of state calculations by fast computing machines” by Nicholas Metropolis, Arianna Rosenbluth, Marshall Rosenbluth, Augusta Teller, and Edward Teller (1953)
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Global properties of the energy landscape: a testing and training arena for machine learned potentials
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Multiscale structure of chromatin condensates explains phase separation and material properties
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Correction to: The first-principles phase diagram of monolayer nanoconfined water (Nature, (2022), 609, 7927, (512-516), 10.1038/s41586-022-05036-x)
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The Second Gibbs Paradox
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Unveiling the scaling laws behind spin-phonon enhanced decorrelation in spin chains
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Analysis of long-range contacts across cell types outlines a core sequence determinant of 3D genome organization
NAR Genomics and Bioinformatics
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Cyclically sheared colloidal gels: structural change and delayed failure time
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Towards Routine Condensed Phase Simulations with Delta-Learned Coupled Cluster Accuracy: Application to Liquid Water
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Visualising the Energy Landscape for a Molecular Dynamics Trajectory
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