Research Articles

Please cite this work as: T. Chachiyo et al. (2016) "Siam Quantum: a compact open-source quantum simulation software for molecules," Thailand. see https://sites.google.com/site/siamquantum.

Research articles that use Siam Quantum

    • A. Saeteaw, N. Sawang, T. Sutthibutpong, "van der Waals parameters of inert, polar and non-polar gas molecules obtained from atomistic molecular dynamics simulations" Journal of Physics: Conference Series 1380 (2019) 012094. https://doi.org/10.1088/1742-6596/1380/1/012094
    • Zeng, Zhe, Bogdan Z. Dlugogorski, Ibukun Oluwoye, and Mohammednoor Altarawneh. "Importance of Intersystem Crossing on Flammability Properties of Carbon Disulphide (CS 2)." In Asia-Oceania Symposium on Fire Science and Technology, pp. 77-88. Springer, Singapore, 2018.
    • T. Chachiyo and H. Chachiyo “Understanding electron correlation energy through density functional theory” Computational and Theoretical Chemistry 1172 (2020) 112669. https://doi.org/10.1016/j.comptc.2019.112669
    • T. Chachiyo and H. Chachiyo (manuscript in preparation: arxiv) "Simple and accurate exchange energy for density functional theory."
    • Yu Gao et al. "Theoretical reflections on the structural polymorphism of the oxygen-evolving complex in the S2 state and the correlations to substrate water exchange and water oxidation mechanism in photosynthesis" (see method in the text), https://doi.org/10.1016/j.bbabio.2017.08.001
    • S. Perhadi et al. reviews and categorizes open-source software in molecular modeling, including Siam Quantum. Somayeh Pirhadi, Jocelyn Sunseri, and David Ryan Koes, "Open Source Molecular Modeling", Journal of Molecular Graphics and Modelling, http://dx.doi.org/10.1016/j.jmgm.2016.07.008
    • B. Shong et al. from Stanford uses Siam Quantum (private communication) to characterize minimum energy crossing point (MECP) of nitro compound on germanium surface. Shong, Bonggeun, and Stacey F. Bent. "Thermally Activated Reactions of Nitrobenzene at the Ge (100)-2× 1 Surface." The Journal of Physical Chemistry C 118.50 (2014): 29224-29233.