Analysing ill-conditioned Markov chains.

Autor: Woods EJ; Cavendish Laboratory, Department of Physics, University of Cambridge, Cambridge CB3 0HE, UK.; Department of Chemistry, University of Cambridge, Lensfield Road, Cambridge CB2 1EW, UK., Kannan D; Department of Chemistry, University of Cambridge, Lensfield Road, Cambridge CB2 1EW, UK., Sharpe DJ; Department of Chemistry, University of Cambridge, Lensfield Road, Cambridge CB2 1EW, UK., Swinburne TD; CNRS, CINaM UMR, Aix-Marseille Université, 7325, Campus de Luminy, 13288 Marseille, France., Wales DJ; Department of Chemistry, University of Cambridge, Lensfield Road, Cambridge CB2 1EW, UK.

Publikováno v: Philosophical transactions. Series A, Mathematical, physical, and engineering sciences [Philos Trans A Math Phys Eng Sci] 2023 Jul 10; Vol. 381 (2250), pp. 20220245. Date of Electronic Publication: 2023 May 22.

Capabilities and limits of autoencoders for extracting collective variables in atomistic materials science.

Autor: Baima J; Université Paris-Saclay, CEA, Service de Recherches de Métallurgie Physique, Gif-sur-Yvette 91191, France. jacopo.baima@cea.fr., Goryaeva AM; Université Paris-Saclay, CEA, Service de Recherches de Métallurgie Physique, Gif-sur-Yvette 91191, France. jacopo.baima@cea.fr., Swinburne TD; Aix-Marseille Université, CNRS, CINaM UMR 7325, Campus de Luminy, 13288 Marseille, France., Maillet JB; Université Paris-Saclay, CEA, LMCE, 91680 Bruyères-le-Châtel, France., Nastar M; Université Paris-Saclay, CEA, Service de Recherches de Métallurgie Physique, Gif-sur-Yvette 91191, France. jacopo.baima@cea.fr., Marinica MC; Université Paris-Saclay, CEA, Service de Recherches de Métallurgie Physique, Gif-sur-Yvette 91191, France. jacopo.baima@cea.fr.

Publikováno v: Physical chemistry chemical physics : PCCP [Phys Chem Chem Phys] 2022 Oct 05; Vol. 24 (38), pp. 23152-23163. Date of Electronic Publication: 2022 Oct 05.

Femtosecond quantification of void evolution during rapid material failure.

Autor: Coakley J; Department of Mechanical and Aerospace Engineering, University of Miami, Coral Gables, FL 33146, USA. jcoakley@miami.edu., Higginbotham A; York Plasma Institute, Department of Physics, University of York, Heslington, York YO10 5DD, UK., McGonegle D; Department of Physics, Clarendon Laboratory, University of Oxford, Parks Road, Oxford OX1 3PU, UK., Ilavsky J; Advanced Photon Source, Argonne National Laboratory, Lemont, IL 60439, USA., Swinburne TD; Aix-Marseille Université, CNRS, CINaM UMR 7325, Campus de Luminy, 13288 Marseille, France., Wark JS; Department of Physics, Clarendon Laboratory, University of Oxford, Parks Road, Oxford OX1 3PU, UK., Rahman KM; Department of Materials, Imperial College, South Kensington, London SW7 2AZ, UK., Vorontsov VA; DMEM, University of Strathclyde, Glasgow G1 1XQ, UK., Dye D; Department of Materials, Imperial College, South Kensington, London SW7 2AZ, UK., Lane TJ; SLAC National Accelerator Laboratory, Menlo Park, CA 94025, USA., Boutet S; SLAC National Accelerator Laboratory, Menlo Park, CA 94025, USA., Koglin J; SLAC National Accelerator Laboratory, Menlo Park, CA 94025, USA., Robinson J; SLAC National Accelerator Laboratory, Menlo Park, CA 94025, USA., Milathianaki D; SLAC National Accelerator Laboratory, Menlo Park, CA 94025, USA.

Publikováno v: Science advances [Sci Adv] 2020 Dec 16; Vol. 6 (51). Date of Electronic Publication: 2020 Dec 16 (Print Publication: 2020).

Quantum de-trapping and transport of heavy defects in tungsten.

Autor: Arakawa K; Next Generation TATARA Co-Creation Centre, Organization for Industrial Innovation, Shimane University, Matsue, Japan. arakawa@riko.shimane-u.ac.jp., Marinica MC; DEN-Service de Recherches de Métallurgie Physique, CEA, Université Paris-Saclay, Gif-sur-Yvette, France., Fitzgerald S; Department of Applied Mathematics, University of Leeds, Leeds, UK., Proville L; DEN-Service de Recherches de Métallurgie Physique, CEA, Université Paris-Saclay, Gif-sur-Yvette, France., Nguyen-Manh D; CCFE, United Kingdom Atomic Energy Authority, Culham Science Centre, Abingdon, Oxfordshire, UK., Dudarev SL; CCFE, United Kingdom Atomic Energy Authority, Culham Science Centre, Abingdon, Oxfordshire, UK., Ma PW; CCFE, United Kingdom Atomic Energy Authority, Culham Science Centre, Abingdon, Oxfordshire, UK., Swinburne TD; CINaM-Aix Marseille Université, CNRS, Marseille, France., Goryaeva AM; DEN-Service de Recherches de Métallurgie Physique, CEA, Université Paris-Saclay, Gif-sur-Yvette, France., Yamada T; Railway, Automotive & Machinery Parts Unit, Osaka Steel Works, Nippon Steel Corporation, Osaka, Japan., Amino T; Advanced Technology Research Laboratories, Nippon Steel Corporation, Amagasaki, Japan., Arai S; Institute of Materials and Systems for Sustainability, Nagoya University, Nagoya, Japan., Yamamoto Y; Institute of Materials and Systems for Sustainability, Nagoya University, Nagoya, Japan., Higuchi K; Institute of Materials and Systems for Sustainability, Nagoya University, Nagoya, Japan., Tanaka N; Institute of Materials and Systems for Sustainability, Nagoya University, Nagoya, Japan., Yasuda H; Research Centre for Ultra-High Voltage Electron Microscopy, Osaka University, Ibaraki, Osaka, Japan., Yasuda T; Research Centre for Ultra-High Voltage Electron Microscopy, Osaka University, Ibaraki, Osaka, Japan., Mori H; Research Centre for Ultra-High Voltage Electron Microscopy, Osaka University, Ibaraki, Osaka, Japan.

Publikováno v: Nature materials [Nat Mater] 2020 May; Vol. 19 (5), pp. 508-511. Date of Electronic Publication: 2020 Jan 27.

Unsupervised Calculation of Free Energy Barriers in Large Crystalline Systems.

Autor: Swinburne TD; CCFE, Culham Science Centre, Abingdon, Oxon OX14 3DB, United Kingdom., Marinica MC; DEN-Service de Recherches de Métallurgie Physique, CEA, Université Paris-Saclay, F-91191 Gif-sur-Yvette, France.

Publikováno v: Physical review letters [Phys Rev Lett] 2018 Mar 30; Vol. 120 (13), pp. 135503.