Hiroya Nakata

10PUBLICATIONS
12CO-AUTHORS
Radiation and matterIntegrable systems (classical and quantum)Free radical chemistryQuantum optics and quantum optomechanicsTheoretical quantum chemistry
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Publications (10)

|Oct 26, 2026
Analytic energy gradients for unrestricted mixed-reference spin-flip time-dependent density functional theory.

|Apr 06, 2026
Eliminating spin-asymmetric orbital instabilities of unrestricted MRSF-TDDFT via selective Jacobi rotation.

Vladimir Makhnev, Woojin Park, Konstantin Komarov

|Jan 12, 2026
Autonomous Reaction Discovery of CO2 Capture in Aqueous Ammonia through Active-Learning Neural Networks.

Hiroya Nakata, Cheol Ho Choi

|Oct 30, 2024
OpenQP: A Quantum Chemical Platform Featuring MRSF-TDDFT with an Emphasis on Open-Source Ecosystem.

Vladimir Mironov, Konstantin Komarov, Jingbai Li

|Oct 17, 2024
UMRSF-TDDFT: Unrestricted Mixed-Reference Spin-Flip-TDDFT.

Konstantin Komarov, Minseok Oh, Hiroya Nakata

|Feb 09, 2023
Toward Accurate Prediction of Ion Mobility in Organic Semiconductors by Atomistic Simulation.

Hiroya Nakata, Hirotaka Kitoh-Nishioka, Wakana Sakai

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Frequent Collaborators

6 joint publications

Cheol Ho Choi

3 joint publications

Dmitri G Fedorov

3 joint publications

Seunghoon Lee

2 joint publications

Minseok Oh