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Author Title Type [ Year(Asc)]
2022
Schmidt, M. , & Roy, P. - N. . (2022). On the accuracy and efficiency of different methods to calculate Raman vibrational shifts of parahydrogen clusters. Journal of Chemical Physics, 156(8), 084102.
Schmidt, M. , Millar, J. , & Roy, P. - N. . (2022). Path integral simulations of confined parahydrogen molecules within clathrate hydrates: merging low temperature dynamics with the zero temperature limit. Journal of Chemical Physics, 156(1), 014303.
Schmidt, M. , & Roy, P. - N. . (2022). Ground state chemical potential of parahydrogen clusters of size N=21-40. Journal of Chemical Physics, 156(1), 016101.
2018
Schmidt, M. D. G. . (2018). Path integral ground state approaches for the study of weakly bound clusters and confined molecules. UWSpace.
Schmidt, M. , & Roy, P. - N. . (2018). Path integral Molecular dynamic simulation of flexible molecular systems in their ground state: application to the water dimer. Journal of Chemical Physics, 148(12), 124116.
2015
Schmidt, M. , Fernández, J. M. , Faruk, N. , Nooijen, M. , Le Roy, R. J. , Morilla, J. H. , Tejeda, G. , et al. (2015). Raman Vibrational Shifts of Small Clusters of Hydrogen Isotopologues. Journal of Physical Chemistry A, 119(50), 12551.
2014
Faruk, N. , Schmidt, M. , Li, H. , Le Roy, R. J. , & Roy, P. - N. . (2014). First-principles prediction of the Raman shifts in parahydrogen clusters. Journal of Chemical Physics, 141(1), 014310.
Schmidt, M. , Constable, S. , Ing, C. , & Roy, P. - N. . (2014). Inclusion of trial functions in the Langevin equation path integral ground state method: Application to parahydrogen clusters and their isotopologues. Journal of Chemical Physics, 140(23), 234101.
Schmidt, M. D. G. . (2014). Developing a Method to Study Ground State Properties of Hydrogen Clusters. UWSpace.
2013
Constable, S. , Schmidt, M. , Ing, C. , Zeng, T. , & Roy, P. - N. . (2013). Langevin Equation Path Integral Ground State. Journal of Physical Chemistry A, 117(32), 7461.