Authors: Wang, Lei, Cao, Shutian, Jiang, Xiang, Salje, Ekhard KH
Subject Terms: Acoustic emission, Cracking, Human teeth, Mean field theory, Power law, Acoustics, Avalanches, Humans, Physical Phenomena
File Description: Print-Electronic; application/octet-stream
Authors: Linscott, Edward
Subject Terms: density functional theory, dynamical mean field theory, strong electronic correlation, ONETEP, DFT+U, haemocyanin, oxygen evolving complex, haem, photosynthesis, metalloproteins, manganese oxide, hexahydrated transition metals, heme, hemocyanin
File Description: application/pdf
Subject Terms: dynamical mean field theory, linear-scaling density functional theory, hemocyanin, ONETEP, TOSCAM
File Description: DFT input/output files correspond to ONETEP version 3.1 [1,2]. DMFT input/output files correspond to TOSCAM [3]. [1] www.onetep.com [2] C.-K. Skylaris et al., Introducing ONETEP: linear-scaling density functional simulations on parallel computers*, J. Chem. Phys., 122, 084119 (2005) [3] E. Linscott et al., ONETEP + TOSCAM: uniting dynamical mean field theory and linear-scaling density functional theory, arXiv:1911.07752 (2019); application/octet-stream
Relation: https://doi.org/10.1038/s42005-019-0270-1; https://www.repository.cam.ac.uk/handle/1810/288599; https://www.repository.cam.ac.uk/handle/1810/299206
Authors: Kocer, Can
Subject Terms: Materials science, Complex structures, Density-Functional Theory, Lithium-ion Batteries, Dynamical Mean Field Theory
File Description: application/pdf
Authors: Valeria Shumaylova, Valeria
Subject Terms: Dynamo theory, MHD, ABC flow, Mean-field theory
File Description: application/pdf
Authors: Wirnsberger, Peter
Subject Terms: Non-equilibrium molecular dynamics, thermo-polarisation effect, statistical physics, computational physics, mean-field theory, multipole expansion, quadrupole moment, Ewald summation, Wolf method, electric field, thermally induced monopoles, thermal polarisation, eHEX algorithm, temperature gradient, heat exchange algorithm, energy conservation, off-centre Stockmayer model
File Description: application/pdf