Austin Symposium on Molecular Structure

Morrison, C. (Speaker)

Activity: Participating in or organising an event types › Participation in conference

Description

Atomic probability density functions from molecular dynamics simulations

Period	2010
Event type	Conference
Location	Austin, United StatesShow on map

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Research output
Determination of the experimental equilibrium structure of solid nitromethane using path-integral molecular dynamics simulations
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Using molecular-dynamics simulations to understand and improve the treatment of anharmonic vibrations. II. Developing and assessing new Debye-Waller factors
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Investigating anharmonicity using molecular dynamics calculations: The TM hydride series (PH₃)₃MH₄, (M = Os, Ru and Fe)
Research output: Contribution to journal › Article › peer-review
Experimental equilibrium crystal structures: Molecular dynamics as a probe for atomic probability density functions
Research output: Contribution to journal › Article › peer-review