Zobrazeno 1 - 10
of 79
pro vyhledávání: '"W M C Foulkes"'
Autor:
Erik D Fagerholm, W M C Foulkes, Yasir Gallero-Salas, Fritjof Helmchen, Karl J Friston, Rosalyn J Moran, Robert Leech
Publikováno v:
PLoS Computational Biology, Vol 16, Iss 5, p e1007865 (2020)
In contrast to the symmetries of translation in space, rotation in space, and translation in time, the known laws of physics are not universally invariant under transformation of scale. However, a special case exists in which the action is scale inva
Externí odkaz:
https://doaj.org/article/938b7cd2d8494086b9c76c740a0189a8
Publikováno v:
New Journal of Physics, Vol 15, Iss 11, p 113005 (2013)
We use the diffusion quantum Monte Carlo (DMC) method to calculate the ground-state phase diagram of solid molecular hydrogen and examine the stability of the most important insulating phases relative to metallic crystalline molecular hydrogen. We ac
Externí odkaz:
https://doaj.org/article/c3f58454152e4722bac983d5e705133c
Publikováno v:
Physical Review Materials. 6
Externí odkaz:
https://explore.openaire.eu/search/publication?articleId=doi_________::62ebb7bd3b53ba454a21544961420fef
https://doi.org/10.1103/physrevmaterials.6.063404
https://doi.org/10.1103/physrevmaterials.6.063404
Autor:
Gino Cassella, Halvard Sutterud, Sam Azadi, N. D. Drummond, David Pfau, James S. Spencer, W. M. C. Foulkes
Deep neural networks have been extremely successful as highly accurate wave function ans\"atze for variational Monte Carlo calculations of molecular ground states. We present an extension of one such ansatz, FermiNet, to calculations of the ground st
Externí odkaz:
https://explore.openaire.eu/search/publication?articleId=doi_dedup___::1483113853f15719c9aa980071d339fc
Autor:
Fritjof Helmchen, Karl J. Friston, Erik D. Fagerholm, Rosalyn J. Moran, Yasir Gallero-Salas, W. M. C. Foulkes, Robert Leech
An isotropic dynamical system is one that looks the same in every direction, i.e., if we imagine - standing somewhere within an isotropic system, we would not be able to differentiate between different lines of sight. Conversely, anisotropy is a meas
Externí odkaz:
https://explore.openaire.eu/search/publication?articleId=doi_dedup___::113ed3bba5088d65dd72e372ea7677fc
Autor:
J. S. Spencer, N. S. Blunt, W. A. Vigor, Fionn D. Malone, W. M. C. Foulkes, James J. Shepherd, A. J. W. Thom
Publikováno v:
Journal of Open Research Software, Vol 3, Iss 1, Pp e9-e9 (2015)
The HANDE quantum Monte Carlo project offers accessible stochastic algorithms for general use for scientists in the field of quantum chemistry. HANDE is an ambitious and general high-performance code developed by a geographically-dispersed team with
Externí odkaz:
https://doaj.org/article/76bb234af30741a79d5c85ac681fdcb9
Autor:
Karl J. Friston, Erik D. Fagerholm, W. M. C. Foulkes, Yasir Gallero-Salas, Robert Leech, Fritjof Helmchen, Rosalyn J. Moran
Publikováno v:
Frontiers in Computational Neuroscience, Vol 15 (2021)
Frontiers in Computational Neuroscience
Frontiers in Computational Neuroscience
We derive a theoretical construct that allows for the characterisation of both scalable and scale free systems within the dynamic causal modelling (DCM) framework. We define a dynamical system to be “scalable” if the same equation of motion conti
Externí odkaz:
https://explore.openaire.eu/search/publication?articleId=doi_dedup___::ea067090a1842a9157834b0b4e5d473e
https://www.frontiersin.org/articles/10.3389/fncom.2021.643148/full
https://www.frontiersin.org/articles/10.3389/fncom.2021.643148/full
According to Landau's Fermi liquid theory, the main properties of the quasiparticle excitations of an electron gas are embodied in the effective mass $m^*$, which determines the energy of a single quasiparticle, and the Landau interaction function, w
Externí odkaz:
https://explore.openaire.eu/search/publication?articleId=doi_dedup___::a8e720bfd077cb2ecae5ac07c312449c
Publikováno v:
Physical Review Research. 2
Given access to accurate solutions of the many-electron Schr\"odinger equation, nearly all chemistry could be derived from first principles. Exact wavefunctions of interesting chemical systems are out of reach because they are NP-hard to compute in g
Externí odkaz:
https://explore.openaire.eu/search/publication?articleId=doi_dedup___::7cb7efc851e996e7925774aa3a8894c9
https://doi.org/10.1103/physrevresearch.2.033429
https://doi.org/10.1103/physrevresearch.2.033429
Autor:
Sam Azadi, W. M. C. Foulkes
We introduce a simple but efficient method for grand-canonical twist averaging in quantum Monte Carlo calculations. By evaluating the thermodynamic grand potential instead of the ground state total energy, we greatly reduce the sampling errors caused
Externí odkaz:
https://explore.openaire.eu/search/publication?articleId=doi_dedup___::4389e9dc8e8523bf95b3813555b47a25
http://hdl.handle.net/10044/1/75606
http://hdl.handle.net/10044/1/75606