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10 merged results for "interatomic potential"

Partial results: at least one source did not answer. Available results are shown rather than treating an upstream outage as zero matches.

Source status
  1. Field-Driven Proton Transport in Water Revealed by Machine Learning Molecular Dynamics.

    van Hees A, Zhang ZY, Andersson L, Zhang C · 2026 · Advanced science (Weinheim, Baden-Wurttemberg, Germany)

    limited evidence Transparent signal score 45/100 · policy 1.0.0

    Found in pubmed · DOI 10.1002/advs.78513

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    • cautionMetadata completeness: 5 of 6 scored descriptive metadata groups are present; missing fields increase uncertainty. Source: Normalized work metadata; license: Caller-provided; provenance license not supplied to scorer
  2. Atomistic investigation of fatigue behavior in single-crystal and polycrystalline aluminum via molecular dynamics.

    Peng X, Fan S, Peng M, Li J · 2026 · Journal of molecular modeling

    limited evidence Transparent signal score 43/100 · policy 1.0.0

    Found in pubmed · DOI 10.1007/s00894-026-07037-3

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  3. Molecular dynamics investigation of shape-dependent viscosity of silver-water nanofluids.

    Ghazinezhad K, Gorji M, Ganji DD, Taheri S · 2026 · Journal of molecular modeling

    limited evidence Transparent signal score 43/100 · policy 1.0.0

    Found in pubmed · DOI 10.1007/s00894-026-07039-1

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    • cautionMetadata completeness: 5 of 6 scored descriptive metadata groups are present; missing fields increase uncertainty. Source: Normalized work metadata; license: Caller-provided; provenance license not supplied to scorer
  4. Unveiling Lithium-Atom Insertion and Clustering in Superionic Solid-State Electrolytes via Mechanical Deformation.

    Shi Y, Sun Y, Ma J, Yang M · 2026 · The journal of physical chemistry letters

    limited evidence Transparent signal score 43/100 · policy 1.0.0

    Found in pubmed · DOI 10.1021/acs.jpclett.6c02235

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    • cautionMetadata completeness: 5 of 6 scored descriptive metadata groups are present; missing fields increase uncertainty. Source: Normalized work metadata; license: Caller-provided; provenance license not supplied to scorer
  5. Neural Constrained Charge Equilibration for Extracting Charge Transport Parameters from Machine Learned Interatomic Potentials.

    Farmer C, Medina H · 2026 · ACS omega

    limited evidence Transparent signal score 45/100 · policy 1.0.0

    Found in pubmed · DOI 10.1021/acsomega.6c04842

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    • supportingOpen access status: Normalized open-access status: open. Source: Normalized work metadata; license: Caller-provided; provenance license not supplied to scorer
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    • cautionMetadata completeness: 5 of 6 scored descriptive metadata groups are present; missing fields increase uncertainty. Source: Normalized work metadata; license: Caller-provided; provenance license not supplied to scorer
  6. pdb2reaction: End-to-End Reaction-Path Elucidation from PDB Structures Using Machine-Learning Interatomic Potentials.

    Ohmura T, Sato H, Terada T · 2026 · ACS omega

    limited evidence Transparent signal score 45/100 · policy 1.0.0

    Found in pubmed · DOI 10.1021/acsomega.6c08242

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    • supportingOpen access status: Normalized open-access status: open. Source: Normalized work metadata; license: Caller-provided; provenance license not supplied to scorer
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    • cautionMetadata completeness: 5 of 6 scored descriptive metadata groups are present; missing fields increase uncertainty. Source: Normalized work metadata; license: Caller-provided; provenance license not supplied to scorer
  7. A New Paradigm for Computational Chemistry.

    Husistein RT, Reiher M · 2026 · Journal of the American Chemical Society

    limited evidence Transparent signal score 45/100 · policy 1.0.0

    Found in pubmed · DOI 10.1021/jacs.6c06653

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    • supportingOpen access status: Normalized open-access status: open. Source: Normalized work metadata; license: Caller-provided; provenance license not supplied to scorer
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    • cautionMetadata completeness: 5 of 6 scored descriptive metadata groups are present; missing fields increase uncertainty. Source: Normalized work metadata; license: Caller-provided; provenance license not supplied to scorer
  8. Mechanistic Insights of Jahn-Teller Effect Suppression in High-Entropy Prussian Blue Analogue Cathodes.

    Wu B, Dong X, Dong H, Bian S · 2026 · Journal of the American Chemical Society

    limited evidence Transparent signal score 43/100 · policy 1.0.0

    Found in pubmed · DOI 10.1021/jacs.6c15227

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    • cautionMetadata completeness: 5 of 6 scored descriptive metadata groups are present; missing fields increase uncertainty. Source: Normalized work metadata; license: Caller-provided; provenance license not supplied to scorer
  9. Quasichemical short-range order in high-entropy reciprocal melts: Li, Na, K‖F, Cl.

    Zakiryanov DO, Tkachev NK · 2026 · Physical chemistry chemical physics : PCCP

    limited evidence Transparent signal score 43/100 · policy 1.0.0

    Found in pubmed · DOI 10.1039/d6cp03168d

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    • cautionMetadata completeness: 5 of 6 scored descriptive metadata groups are present; missing fields increase uncertainty. Source: Normalized work metadata; license: Caller-provided; provenance license not supplied to scorer
  10. Interaction embedding via factorized linear models for multi-element machine learning interatomic potentials.

    Jung SH, Baghishov I, Henkelman G · 2026 · The Journal of chemical physics

    limited evidence Transparent signal score 43/100 · policy 1.0.0

    Found in pubmed · DOI 10.1063/5.0345011

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    • cautionMetadata completeness: 5 of 6 scored descriptive metadata groups are present; missing fields increase uncertainty. Source: Normalized work metadata; license: Caller-provided; provenance license not supplied to scorer