Molecular and ion sieving with angstrom-channels: general discussion
Faraday discussions
(2026)
(doi: 10.1039/d6fd90018f)
Quantum Enhancement of Microcanonical Negative Heat Capacity Features in the Melting of Water Clusters
The Journal of Physical Chemistry Letters
(2026)
(doi: 10.1021/acs.jpclett.6c02032)
Fast and Accurate Foundation Models for Equivariant Machine-Learned Interatomic Potentials
(2026)
Avalanche-like intercalation and intraparticle correlations in graphite
Nature
(2026)
1
(doi: 10.1038/s41586-026-10862-4)
Long-range machine learning of electron density for twisted bilayer moiré materials
PRX Intelligence
(2026)
(doi: 10.1103/4575-9cmx)
Nodal Error behind Discrepancies between Coupled Cluster and Diffusion Monte Carlo
Journal of Chemical Theory and Computation
(2026)
acs.jctc.6c00882
(doi: 10.1021/acs.jctc.6c00882)
Self-assembly: From blueprints to breakthroughs.
The Journal of Chemical Physics
(2026)
165
030401
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On environmental science computational labs
Chemical Engineering Journal
(2026)
543
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When Cubic is Not Isotropic: Phonon–Exciton Decoupling in CuInSnS4 Single Crystals
Advanced Optical Materials
(2026)
14
e71392
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How reactive is water at the nanoscale and how to control it?
Sci Adv
(2026)
12
eaeb5772
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A Spectrum of Free Energy Landscape Topologies Encodes Chromatin Polymorphism and Phase Separation
(2026)
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hexABC seeking the physical code of DNA.
Nature communications
(2026)
(doi: 10.1038/s41467-026-74390-5)
Hydrodynamic theory of wetting by active particles.
Phys Rev E
(2026)
113
065423
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Spontaneous Ratchet Currents and Transition Dynamics in Active Wetting
Physical review letters
(2026)
136
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(doi: 10.1103/sq25-hfsb)
Controlling the phase behaviour of ultraconfined water via bilayer graphene stacking
(2026)
(doi: 10.48550/arxiv.2606.21490)
Data-Driven Discovery of Ce3+-Activated Phosphors with Target Excitation Energies for Solid-State Lighting
ACS Applied Materials & Interfaces
(2026)
18
32921
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Single-molecule nucleosome spacing coordinates chromatin fiber interactions.
(2026)
(doi: 10.64898/2026.06.02.729033)
Comparison of predictive approaches to the dynamics of activated catalytic processes.
Physical Chemistry Chemical Physics
(2026)
28
13083
(doi: 10.1039/d6cp01329e)
Monte-Carlo study of Compositional Heterogeneity in Multicomponent Cluster Crystals
(2026)
(doi: 10.48550/arxiv.2606.03235)
Shallow Electronic State Preparation for Quantum Chemistry with Quantum Monte Carlo Pre-Selection
(2026)
Carrier Localization in Pnictogen-Based Chalcohalides from Defect-Bound Hot Polarons
(2026)
(doi: 10.48550/arxiv.2605.29925)
How reproducible are first-principles simulations of liquid water?
(2026)
(doi: 10.48550/arxiv.2605.28798)
Accelerating point-defect simulations using data-driven and machine learning approaches
MRS Bulletin
(2026)
51
600
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Accelerated Reaction Exploration across Scales: A Hybrid Operando and Modeling Study of Oxidation Kinetics in Monolayer Tungsten Disulfide
J Am Chem Soc
(2026)
148
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Transcorrelated wave-function framework for solids: An application to bulk and defected silicon
Physical Review B
(2026)
113
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