35 citations · 97 across the 4 of their papers we have counts for
4 papers
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…
Cysteine and cystine adsorption on FeS(100)
Teppei Suzuki, Taka-aki Yano, Masahiko Hara +1
Iron pyrite (FeS) is the most abundant metal sulfide on Earth. Owing to its reactivity and catalytic activity, pyrite has been studied in various research fields such as surf…
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…
Machine Learning for Atomic Forces in a Crystalline Solid: Transferability to Various Temperatures
Teppei Suzuki, Ryo Tamura, Tsuyoshi Miyazaki
Recently, machine learning has emerged as an alternative, powerful approach for predicting quantum-mechanical properties of molecules and solids. Here, using kernel ridge regressio…