RIKEN Center for Computational Science

Spontaneous zonal symmetry breaking of tropical rain belt

Abstract The intertropical convergence zone (ITCZ) is a central component of tropical climate, yet the conditions under which a tropical rain belt remains zonally extended or becomes unstable to zonal organization remain poorly understood. Here we investigate this problem using i...

Data for "The QCD phase diagram for three-flavor Möbius domain-wall fermions"

This dataset contains the processed numerical data and plotting scripts underlying the figures in the article "The QCD phase diagram for three-flavor Möbius domain-wall fermions". Each directory corresponds to one or more figures in the paper. The gauge-field ensembles and raw me...

Identification of Relationship Lending in Bank–Borrower Networks

ABSTRACT Relationship lending refers to lending based on close bank–borrower relationships, expected to increase credit availability and support real economic activity. This paper proposes the ST‐B filter, a novel framework identifying significant ties in temporal bipartite netwo...

Coupling Quantum Mechanical Modeling and Molecular Dynamics on Heterogeneous Supercomputers for Studying Distal Mutation Effects on Drug Binding in HIV-1

Abstract Predicting how protein mutations affect drug binding remains a major challenge, particularly when the mutations are distal from the binding site. In this study, we introduce a coupled simulation workflow that combines classical molecular dynamics (MD) with high-throughpu...

Impact of Inhibitor Size and Flexibility on the Binding Pathways to c-Src Kinase

Abstract The conformational plasticity of protein kinases poses a challenge for inhibitor design, motivating the use of molecular dynamics (MD) simulations to study their dynamic binding processes. While conformational changes are increasingly discussed, the impact of drug compou...

Experiments on entrainment and mixing in particle-driven gravity currents

New experiments with particle-driven, finite-volume gravity currents show that some of the ambient fluid displaced up and over the head of the current becomes mixed into the current. Measurements show that this leads to an increase in volume of the current at a similar rate to th...

Generalizing molecular design via flexible search space control

Abstract Recent advances in generative artificial intelligence have made in silico molecular design a powerful approach for exploring chemical space toward specific goals. However, despite the need for trial-and-error adjustment of generative strategies and reward formulations, m...

An Eleven-Dimensional Geometric Reading of Lenz's 6π^5 Approximation to the Proton–Electron Mass Ratio — A Doodle with the Unit 11-Ball and Twenty Equatorial Cross-Polytopes

That the proton-to-electron mass ratio m_p/m_e ≈ 1836.15 can be approximated by 6π^5 = 1836.118 is a well-known numerical coincidence, dating from an extremely short 1951 note by F. Lenz. The present paper shows that 6π^5 need not be read as mere number-matching: it can be drawn,...

Reviving, reproducing, and revisiting Axelrod’s second tournament

Abstract Direct reciprocity, typically studied using the Iterated Prisoner’s Dilemma ( IPD ), is central to explaining cooperation. In the 1980s Robert Axelrod ran two computer tournaments in which Tit for Tat ( TFT ) emerged as the winner. Yet the archival record is incomplete:...