161 citations · 320 across the 7 of their papers we have counts for
7 papers
Omics-scale polymer computational database transferable to real-world artificial intelligence applications
Ryo Yoshida, Yoshihiro Hayashi, Hidemine Furuya +103
Developing large-scale foundational datasets is a critical milestone in advancing artificial intelligence (AI)-driven scientific innovation. However, unlike AI-mature fields such a…
Quantum Car-Parrinello Molecular Dynamics: A Cost-Efficient Molecular Simulation Method on Near-Term Quantum Computers
Kohdai Kuroiwa, Takahiro Ohkuma, Hirokazu Sato +1
In this paper, we propose a cost-reduced method for finite-temperature molecular dynamics on a near-term quantum computer, Quantum Car-Parrinello molecular dynamics (QCPMD). One of…
Sequence transferable coarse-grained model of amphiphilic copolymer
Chathuranga C. De Silva, Porakrit Leophairatana, Takahiro Ohkuma +3
Polymer properties are inherently multi-scale in nature, where delicate local interaction details play a key role in describing their global conformational behavior. In this contex…
Collective Dynamics of Deformable Self-Propelled Particles with Repulsive Interaction
Yu Itino, Takahiro Ohkuma, Takao Ohta
We investigate dynamics of deformable self-propelled particles with a repulsive interaction whose magnitude depends on the relative direction of elongation of a pair of particles.…
Dynamics of a deformable self-propelled domain
T. Hiraiwa, T. Ohkuma, T. Ohta +2
We investigate the dynamical coupling between the motion and the deformation of a single self-propelled domain based on two different model systems in two dimensions. One is repres…
Deformation of a self-propelled domain in an excitable reaction-diffusion system
Takao Ohta, Takahiro Ohkuma, Kyohei Shitara
We formulate the theory for a self-propelled domain in an excitable reaction-diffusion system in two dimensions where the domain deforms from a circular shape when the propagation…
Deformable self-propelled particles
Takao Ohta, Takahiro Ohkuma
A theory of self-propelled particles is developed in two dimensions assuming that the particles can be deformed from a circular shape when the propagating velocity is increased. A…