RIKEN Center for Computational Science

Recent papers from RIKEN Center for Computational Science

1. Multiscale Molecular Simulations in the Age of Exascale ComputingAnnual Review of Physical Chemistry · 2026
2. An auditable harness for biomolecular dynamics simulations by AI agents2026
3. Numerical investigation of the validity of Janak path integral and Slater–Janak theoremThe Journal of Chemical Physics · 2026
4. A Quantum-HPC Hybrid Workflow for Reaction-Center Electronic Dynamics: Application to a Cytochrome P450-Inspired Iron-Complex ModelJournal of Chemical Theory and Computation · 2026
5. Enzymes can activate and mobilize dense biomolecular condensates across scalesNature Communications · 2026
6. Reconstructing a long-term atmospheric circulation of Venus from sparse observationsnpj Space Exploration · 2026
7. Δ-HGPR: A Hierarchical Gaussian Process Framework for Active-Learning Δ-PotentialsJournal of Chemical Theory and Computation · 2026
8. A Lagrangian particle tracking framework for the super-droplet method in SCALE-SDM 5.2.6-2.3.1: implementation and computational evaluationGeoscientific model development · 2026
9. Numerical hints for dyon condensation at θ = 2π via Wilson-’t Hooft loops in SU(2) Yang-Mills theoryJournal of High Energy Physics · 2026
10. Spontaneous zonal symmetry breaking of tropical rain beltQuarterly Journal of the Royal Meteorological Society · 2026
11. Organoid-line-specific regulatory network analysis identifies targeted-drug response-associated subnetworks in patient-derived colorectal cancer organoidsJournal of Translational Medicine · 2026
12. Data for "The QCD phase diagram for three-flavor Möbius domain-wall fermions"2026
13. Dependence of Neutralized Charge Amount on Meteorological Conditions in Summertime Lightning Discharges in JapanJournal of Geophysical Research Atmospheres · 2026
14. Globally harmonized specifications: Implementing a patient-centric, enhanced control strategy – a meeting reportBiologicals · 2026
15. LETKF-based Ocean Research Analysis version 2.0 for a quasi-global domain (LORA-QG): validation and intercomparison with eddy-permitting global ocean reanalysis datasetsOcean science · 2026
16. QCD phase diagram for three-flavor Möbius domain-wall fermionsPhysical review. D/Physical review. D. · 2026
17. Identification of Relationship Lending in Bank–Borrower NetworksOxford Bulletin of Economics and Statistics · 2026
18. Impact of Inhibitor Size and Flexibility on the Binding Pathways to c-Src KinaseThe Journal of Physical Chemistry Letters · 2026
19. Characteristics of Strong Surface Winds Associated with Ferry Cancellations in the Soya Area of JapanSOLA · 2026
20. Experiments on entrainment and mixing in particle-driven gravity currentsJournal of Fluid Mechanics · 2026