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    Computer simulation of nonadiabatic dynamics by means of the quantum-classical Liouville equation. 

    Uken, Daniel A. (2013)
    Simulation of quantum dynamics for many-body systems is an open area of research. For interacting many-body quantum systems, the computer memory necessary to perform calculations has an astronomical value, so that ...
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    Constant-temperature dynamics in the Wigner representation of quantum mechanics. 

    Megnidio-Tchoukouegno, Mireille Merlise. (2011)
    This dissertation deals with theory and algorithms for computer simulations of classical and quantum systems in the canonical ensemble. First, the approach of Nos e-Hoover and its generalization, known as the Nos e- Hoover ...
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    Measure-preserving and time-reversible integration algorithms for constant temperature molecular dynamics. 

    Obaga, Emmanuel Omboga. (2011)
    This thesis concerns the formulation of integration algorithms for non-Hamiltonian molecular dynamics simulation at constant temperature. In particular, the constant temperature dynamics of the Nosé-Hoover, Nosé-Hoover ...
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    Simulating thermal fluctuations in soft matter models. 

    Obaga, Emmanuel Omboga. (2015)
    The research carried out in this work is in two parts: In the first part, we derive a configurational temperature Nosé-Hoover thermostat by reformulating the original Braga and Travis thermostat [J. Chem. Phys. 123 ...

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    AuthorObaga, Emmanuel Omboga. (2)Megnidio-Tchoukouegno, Mireille Merlise. (1)Uken, Daniel A. (1)Subject
    Molecular dynamics. (4)
    Theses--Physics. (3)Quantum theory. (2)Condensed matter. (1)Mathematical physics. (1)Physics--Computer simulation. (1)Solids -- Fluctuations. (1)Theses -- Physics. (1)... View MoreDate Issued2015 (1)2013 (1)2011 (2)

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