2 papers
quant-ph2020
Predicting toxicity by quantum machine learning
Teppei Suzuki, Michio Katouda
In recent years, parameterized quantum circuits have been regarded as machine learning models within the framework of the hybrid quantum-classical approach. Quantum machine learnin…
cond-mat.mtrl-sci2017
Canonical-ensemble extended Lagrangian Born-Oppenheimer molecular dynamics for the linear scaling density functional theory
Teruo Hirakawa, Teppei Suzuki, David R. Bowler +1
We discuss the development and implementation of a constant temperature (NVT) molecular dynamics scheme that combines the Nosé-Hoover chain thermostat with the extended Lagrangian…