Quantum Simulation

4 papers for year 2017 from Crossref

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Showing 1-4 of 4

Reaction mechanism and modeling study for the oxidation by SO<sub>2</sub> of <i>o</i>‐xylene and <i>p</i>‐xylene in Claus process

Sourab Sinha, Abhijeet Raj

2017 Crossref International Journal of Quantum Chemistry

Saturation of entropy production in quantum many-body systems

Kazuya Kaneko, Eiki Iyoda, Takahiro Sagawa

2017 Crossref Physical Review E

Temperature-dependent vibrational spectra and structure of liquid water from classical and quantum simulations with the MB-pol potential energy function

Sandeep K. Reddy, Daniel R. Moberg, Shelby C. Straight, Francesco Paesani

2017 Crossref The Journal of Chemical Physics

Ultrafast Electron Transfer with Symmetrical Quasi-classical Dynamics based on Mapping Hamiltonian and Quantum Dynamics based on ML-MCTDH

Jie Zheng, Yu Xie, Sheng-shi Jiang, Yun-ze Long, Xin Ning, Zheng-gang Lan

2017 Crossref Chinese Journal of Chemical Physics