Toru Shiozaki - Publications, H-index & Citations

Toru Shiozaki

Northwestern University

31H指数

71论文数

3.6K被引数

收录论文 40

发表时间

High-performance QM/MM Enhanced Sampling Molecular Dynamics Simulations with GENESIS SPDYN and QSimulate-QM 高性能QM/MM增强采样分子动力学模拟，使用GENESIS SPDYN和QSimulate-QM。

JOURNAL OF CHEMICAL THEORY AND COMPUTATION

IF5.5

2025-04-02

OAAI

Yagi, Kiyoshi; Gunst, Klaas; Shiozaki, Toru; Sugita, Yuji

Fast Emulation of Fermionic Circuits with Matrix Product States

JOURNAL OF CHEMICAL THEORY AND COMPUTATION

IF5.5

2024-04-25

OAAI

Provazza, Justin; Gunst, Klaas; Zhai, Huanchen; Chan, Garnet K. -L.; Shiozaki, Toru; Rubin, Nicholas C.; White, Alec F.

Algorithm for analytic nuclear energy gradients of state averaged DMRG-CASSCF theory with newly derived coupled-perturbed equations

JOURNAL OF CHEMICAL PHYSICS

IF3.1

2023-02-03

OAAI

Iino, Tsubasa; Shiozaki, Toru; Yanai, Takeshi

Reliably assessing the electronic structure of cytochrome P450 on today's classical computers and tomorrow's quantum computers

PROCEEDINGS OF THE NATIONAL ACADEMY OF SCIENCES OF THE UNITED STATES OF AMERICA

IF9.1

2022-09-12

OAAI

Goings, Joshua J.; White, Alec; Lee, Joonho; Tautermann, Christofer S.; Degroote, Matthias; Gidney, Craig; Shiozaki, Toru; Babbush, Ryan; Rubin, Nicholas C.

Computational Spectroscopy of the Cr-Cr Bond in Coordination Complexes

INORGANIC CHEMISTRY

IF4.7

2021-12-09

OAAI

Shiozaki, Toru; Vlaisavljevich, Bess

The Fermionic Quantum Emulator

QUANTUM

IF5.4

2021-10-27

OAAI

Rubin, Nicholas C.; Gunst, Klaas; White, Alec; Freitag, Leon; Throssell, Kyle; Chan, Garnet Kin-Lic; Babbush, Ryan; Shiozaki, Toru

Comment on A tight distance-dependent estimator for screening three-center Coulomb integrals over Gaussian basis functions [J. Chem. Phys. 142, 154106 (2015)]

JOURNAL OF CHEMICAL PHYSICS

IF3.1

2020-09-01

OAAI

Valeev, Edward F.; Shiozaki, Toru

Efficient and stochastic multireference perturbation theory for large active spaces within a full configuration interaction quantum Monte Carlo framework

JOURNAL OF CHEMICAL PHYSICS

IF3.1

2020-02-03

OAAI

Anderson, Robert J.; Shiozaki, Toru; Booth, George H.

Imaginary Shift in CASPT2 Nuclear Gradient and Derivative Coupling Theory

JOURNAL OF CHEMICAL THEORY AND COMPUTATION

IF5.5

2019-06-05

OAAI

Park, Jae Woo; Al-Saadon, Rachael; Strand, Nils E.; Shiozaki, Toru

Zero-Field Splitting Parameters from Four-Component Relativistic Methods

JOURNAL OF CHEMICAL THEORY AND COMPUTATION

IF5.5

2019-01-28

OAAI

Reynolds, Ryan D.; Shiozaki, Toru

Large-scale relativistic complete active space self-consistent field with robust convergence

JOURNAL OF CHEMICAL PHYSICS

IF3.1

2018-07-06

OAAI

Reynolds, Ryan D.; Yanai, Takeshi; Shiozaki, Toru

Occupied-Orbital Fast Multipole Method for Efficient Exact Exchange Evaluation

JOURNAL OF CHEMICAL THEORY AND COMPUTATION

IF5.5

2018-01-25

OAAI

Le, Hai-Anh; Shiozaki, Toru

On the difference between variational and unitary coupled cluster theories

JOURNAL OF CHEMICAL PHYSICS

IF3.1

2018-01-23

OAAI

Harsha, Gaurav; Shiozaki, Toru; Scuseria, Gustavo E.

Electronic structure of SmO and SmO- via slow photoelectron velocity-map imaging spectroscopy and spin-orbit CASPT2 calculations

JOURNAL OF CHEMICAL PHYSICS

IF3.1

2017-12-21

OAAI

Weichman, Marissa L.; Vlaisavljevich, Bess; DeVine, Jessalyn A.; Shuman, Nicholas S.; Ard, Shaun G.; Shiozaki, Toru; Neumark, Daniel M.; Viggiano, Albert A.

On-the-Fly CASPT2 Surface-Hopping Dynamics

JOURNAL OF CHEMICAL THEORY AND COMPUTATION

IF5.5

2017-07-20

123

OAAI

Park, Jae Woo; Shiozaki, Toru

Analytical Derivative Coupling for Multistate CASPT2 Theory

JOURNAL OF CHEMICAL THEORY AND COMPUTATION

IF5.5

2017-05-12

124