University of Cambridge > Talks.cam > Electronic Structure Discussion Group > Nested sampling with Hamiltonian Monte Carlo

  Browse A-Z

Log in

Cambridge users (raven)details Other usersdetails No account?details

Information on

Subscribing to talksdetails Finding a talkdetails Adding a talkdetails Disseminating talksdetails Help and Documentationdetails

Nested sampling with Hamiltonian Monte Carlo

Add to your list(s) Download to your calendar using vCal

If you have a question about this talk, please contact Joseph Nelson.

Nested sampling is a Monte Carlo algorithm that can be used to efficiently calculate the complete configurational density of states in a material that undergoes multiple first-order phase transitions. From the density of states one can calculate the partition function as an explicit function of temperature and perform statistical mechanics from first principles. Indeed, we have shown how nested sampling can be used to automatically discover complete pressure-temperature phase diagrams with no prior knowledge of the locations of phase transitions or the structures of phases. In this talk I will present a new version of the nested sampling algorithm, based on a modified Hamiltonian (“Hybrid”) Monte Carlo scheme. This new scheme reduces the scaling of a general nested sampling calculation. In particular the new algorithm expedites the sampling of atomic configuration spaces in condensed phases, and permits one to perform nested sampling calculations at a fraction of the cost required by ordinary nested sampling with standard Monte Carlo.

This talk is part of the Electronic Structure Discussion Group series.

Tell a friend about this talk:

This talk is included in these lists:

Note that ex-directory lists are not shown.

Other lists

CRASSH Cambridge University Southeast Asian Forum Cambridge Institute for Sustainability Leadership Cambridge University Commonwealth Society CSSA-Cambridge

Other talks

A stochastic model for understanding PIN polarity in isolated cells Modeling and understanding of Quaternary climate cycles Surrogate models in Bayesian Inverse Problems A lifelong project in clay: Virtues of Unity Panel comparisons: Challenor, Ginsbourger, Nobile, Teckentrup and Beck Demographics, presentation, diagnosis and patient pathway of haematological malignancies
 

© 2006-2024 Talks.cam, University of Cambridge. Contact Us | Help and Documentation | Privacy and Publicity