450 citations · 532 across the 9 of their papers we have counts for
9 papers
PARC: An Autonomous Self-Reflective Coding Agent for Robust Execution of Long-Horizon Tasks
Yuki Orimo, Iori Kurata, Hodaka Mori +3
We introduce PARC, a coding agent for the autonomous and robust execution of long-horizon computational tasks. PARC is built on a hierarchical multi-agent architecture incorporatin…
Towards Universal Neural Network Potential for Material Discovery Applicable to Arbitrary Combination of 45 Elements
So Takamoto, Chikashi Shinagawa, Daisuke Motoki +19
Computational material discovery is under intense study owing to its ability to explore the vast space of chemical systems. Neural network potentials (NNPs) have been shown to be p…
Data Transfer Approaches to Improve Seq-to-Seq Retrosynthesis
Katsuhiko Ishiguro, Kazuya Ujihara, Ryohto Sawada +2
Retrosynthesis is a problem to infer reactant compounds to synthesize a given product compound through chemical reactions. Recent studies on retrosynthesis focus on proposing more…
Extractive Summarization via Weighted Dissimilarity and Importance Aligned Key Iterative Algorithm
Ryohto Sawada
We present importance aligned key iterative algorithm for extractive summarization that is faster than conventional algorithms keeping its accuracy. The computational complexity of…
Model-Free Cluster Analysis of Physical Property Data using Information Maximizing Self-Argument Training
Ryohto Sawada, Yuma Iwasaki, Masahiko Ishida
We present the semi-supervised IMSAT, a versatile classification method that works without labeled data and can be tuned by little additional information. We demonstrate how semi-s…
Machine-learning guided discovery of a high-performance spin-driven thermoelectric material
Yuma Iwasaki, Ichiro Takeuchi, Valentin Stanev +10
Thermoelectric conversion using Seebeck effect for generation of electricity is becoming an indispensable technology for energy harvesting and smart thermal management. Recently, t…
Boosting Material Modeling Using Game Tree Search
Ryohto Sawada, Yuma Iwasaki, Masahiko Ishida
We demonstrate a heuristic optimization algorithm based on the game tree search for multi-component materials design. The algorithm searches for the largest spin polarization of se…
Implementation of the multiconfiguration time-dependent Hatree-Fock method for general molecules on a multi-resolution Cartesian grid
Ryohto Sawada, Takeshi Sato, Kenichi L. Ishikawa
We report a three-dimensional numerical implementation of multiconfiguration time-dependent Hartree-Fock (MCTDHF) based on a multi-resolution Cartesian grid, with no need to assume…
Analysis of strong-field enhanced ionization of molecules using Bohmian trajectories
Ryohto Sawada, Takeshi Sato, Kenichi L. Ishikawa
We theoretically investigate the mechanism of enhanced ionization in two-electron molecules by analyzing Bohmian trajectories for a one-dimensional H2 in an intense laser field. We…