Quantum Monte Carlo simulations on ten thousand to a million cores
Lead Research Organisation:
University of Cambridge
Department Name: Physics
Abstract
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Organisations
People |
ORCID iD |
| Richard Needs (Principal Investigator) |
Publications
Azadi S
(2014)
Dissociation of High-Pressure Solid Molecular Hydrogen: A Quantum Monte Carlo and Anharmonic Vibrational Study
in Physical Review Letters
Drummond N
(2013)
Diffusion quantum Monte Carlo calculation of the quasiparticle effective mass of the two-dimensional homogeneous electron gas
in Physical Review B
Drummond N
(2013)
Quantum Monte Carlo calculation of the Fermi liquid parameters of the two-dimensional homogeneous electron gas
in Physical Review B
López Ríos P
(2012)
Framework for constructing generic Jastrow correlation factors.
in Physical review. E, Statistical, nonlinear, and soft matter physics
Maezono R
(2013)
Excitons and biexcitons in symmetric electron-hole bilayers.
in Physical review letters
| Description | We calculated the Fermi liquid parameters of the two-dimensional homogeneous electron gas, and have obtained accurate results for this difficult quantity. We found out the densities and interlayer spacing at which excitons and biexcitons are stable. We developed a theoretical framework for constructing generic Jastrow correlation factors. |
| Exploitation Route | It might be useful in developing devices using excitons and biexcitons. The work on constructing generic Jastrow correlation factors could be useful in quantum Monte Carlo calculations. |
| Sectors | Chemicals,Digital/Communication/Information Technologies (including Software),Electronics,Energy,Other |
| Description | We calculated Fermi liquid parameters for the two-dimensional electron gas. These can be used to describe correlated electron properties near the Fermi energy. |
| First Year Of Impact | 2012 |
| Sector | Electronics,Energy |
| Impact Types | Economic |
| Description | Quantum Monte Carlo made easy |
| Amount | £212,518 (GBP) |
| Funding ID | EP/K037870/1 |
| Organisation | Engineering and Physical Sciences Research Council (EPSRC) |
| Sector | Public |
| Country | United Kingdom |
| Start | 10/2013 |
| End | 09/2015 |
| Title | CASINO |
| Description | Code for quantum Monte Carlo calculations |
| Type Of Technology | Software |
| Impact | Many papers based on results obtained from the Casino code, with many citations. Work on defects in semiconductors, diamondoids, phase diagrams of materials, etc |
| URL | http://vallico.net/casinoqmc |