9 citations · 15 across the 7 of their papers we have counts for
5 papers · 1 filter
Constrained Optimization of Higher-Order Cluster-Expansion Hamiltonians for Alloys Using Simulated Bifurcation
Kazuhide Ichikawa, Satoru Ohuchi, Tomoyasu Yokoyama +2
Identifying ground-state and low-energy atomic configurations is a central problem in alloy design. The cluster-expansion (CE) method represents configurational energetics on a fix…
From Polyhedra to Crystals: A Graph-Theoretic Framework for Crystal Structure Generation
Tomoyasu Yokoyama, Kazuhide Ichikawa, Hisashi Naito
Crystal structures can be viewed as assemblies of space-filling polyhedra, which play a critical role in determining material properties such as ionic conductivity and dielectric c…
SpinMultiNet: Neural Network Potential Incorporating Spin Degrees of Freedom with Multi-Task Learning
Koki Ueno, Satoru Ohuchi, Kazuhide Ichikawa +2
Neural Network Potentials (NNPs) have attracted significant attention as a method for accelerating density functional theory (DFT) calculations. However, conventional NNP models ty…
Designing Superionic Conductors Using Tetrahedrally Packed Structures
Tomoyasu Yokoyama, Kazuhide Ichikawa, Takuya Naruse +2
In the pursuit of advanced energy storage solutions, the crystal structure of ionic conductors plays a pivotal role in facilitating ion transport. The conventional structural desig…
Crystal Structure Generation Based on Polyhedra using Dual Periodic Graphs
Tomoyasu Yokoyama, Kazuhide Ichikawa, Hisashi Naito
Crystal structure design is important for the discovery of new highly functional materials because crystal structure strongly influences material properties. Crystal structures are…