98 citations · 199 across the 10 of their papers we have counts for
10 papers
Lang2MLIP: End-to-End Language-to-Machine Learning Interatomic Potential Development with Autonomous Agentic Workflows
Wenwen Li, Yuki Orimo, Nontawat Charoenphakdee
Developing machine learning interatomic potentials (MLIPs) for complex materials systems remains challenging because it requires expertise in atomistic simulations, machine learnin…
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…
Efficient simulation of multielectron dynamics in molecules under intense laser pulses: Implementation of the multiconfiguration time-dependent Hartree-Fock method based on the adaptive finite element method
Yuki Orimo, Takeshi Sato, Kenichi L. Ishikawa
We present an implementation of the multiconfiguration time-dependent Hartree-Fock method based on the adaptive finite element method for molecules under intense laser pulses. For…
Time-dependent multiconfiguration self-consistent-field and time-dependent optimized coupled-cluster methods for intense laser-driven multielectron dynamics
Takeshi Sato, Himadri Pathak, Yuki Orimo +1
We review time-dependent multiconfiguration self-consistent-field (TD-MCSCF) method and time-dependent optimized coupled-cluster (TD-OCC) method for first-principles simulations of…
Interferometric extraction of photoionization-path amplitudes and phases from time-dependent multiconfiguration self-consistent-field simulations
Yuki Orimo, Oyunbileg Tugs, Takeshi Sato +3
Bichromatic extreme-ultraviolet pulses from a seeded free-electron laser enable us to measure photoelectron angular distribution (PAD) as a function of the relative phase between t…
A new method for measuring angle-resolved phases in photoemission
Daehyun You, Kiyoshi Ueda, Elena V. Gryzlova +33
Quantum mechanically, photoionization can be fully described by the complex photoionization amplitudes that describe the transition between the ground state and the continuum state…