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Jump to: Deutsche Forschungsgemeinschaft (DFG) | Element Six | Engineering and Physical Sciences Research Council (EPSRC) | European Commission (EC) | Horizon 2020 (European Commission) (H2020) | Imperial College, London | Imperial College, London. Rio Tinto Centre for Advanced Mineral Recovery | King's College London | Royal Academy of Engineering | Seventh Framework Programme (European Commission) (FP7) | United States. Department of Energy | United States. Department of Energy. Office of Science | Velux Foundation
Number of items: 39.
Deutsche Forschungsgemeinschaft (DFG)
Larsen, Ask, Mortensen, Jens, Blomqvist, Jakob, Castelli, Ivano, Christensen, Rune, Dulak, Marcin, Friis, Jesper, Groves, Michael, Hammer, Bjork, Hargus, Cory et al.
(2017)
The atomic simulation environment β a python library for working with atoms.
Journal of Physics: Condensed Matter
.
doi:10.1088/1361-648X/aa680e
ISSN 0953-8984.
Kermode, James R., Gleizer, Anna, Kovel, Guy, Pastewka, Lars, Csanyi, Gabor, Sherman, Dov and De Vita, Alessandro (2015) Low speed crack propagation via kink formation and advance on the silicon (110) cleavage plane. Physical Review Letters, 115 (13). pp. 1-5. 135501. doi:10.1103/PhysRevLett.115.135501 ISSN 0031-9007.
Peguiron, Anke, Ciacchi, Lucio Colombi, De Vita, Alessandro, Kermode, James R. and Moras, Gianpietro (2015) Accuracy of buffered-force QM/MM simulations of silica. Journal of Chemical Physics, 142 . 064116. doi:10.1063/1.4907786 ISSN 0021-9606.
Bitzek, Erik, Kermode, James R. and Gumbsch, Peter (2015) Atomistic aspects of fracture. International Journal of Fracture, 191 (1). pp. 13-30. doi:10.1007/s10704-015-9988-2 ISSN 0376-9429.
Element Six
Sernicola, Giorgio, Giovannini, Tommaso, Patel, Punitbhai, Kermode, James R., Balint, Daniel S., Britton, T. Ben and Giuliani, Finn (2017) In situ stable crack growth at the micron scale. Nature Communications, 8 (1). 108. doi:10.1038/s41467-017-00139-w ISSN 2041-1723.
Engineering and Physical Sciences Research Council (EPSRC)
Bianchini, Federico, Glielmo, Aldo, Kermode, James R. and De Vita, Alessandro (2019) Data for Enabling QM-accurate simulation of dislocation motion in gamma-Ni and alpha-Fe using a hybrid multiscale approach. [Dataset]
Sernicola, Giorgio, Giovannini, Tommaso, Patel, Punitbhai, Kermode, James R., Balint, Daniel S., Britton, T. Ben and Giuliani, Finn (2017) In situ stable crack growth at the micron scale. Nature Communications, 8 (1). 108. doi:10.1038/s41467-017-00139-w ISSN 2041-1723.
Larsen, Ask, Mortensen, Jens, Blomqvist, Jakob, Castelli, Ivano, Christensen, Rune, Dulak, Marcin, Friis, Jesper, Groves, Michael, Hammer, Bjork, Hargus, Cory et al.
(2017)
The atomic simulation environment β a python library for working with atoms.
Journal of Physics: Condensed Matter
.
doi:10.1088/1361-648X/aa680e
ISSN 0953-8984.
Caccin, Marco, Li, Zhenwei, Kermode, James R. and De Vita, Alessandro (2016) A framework for machine-learning-augmented multiscale atomistic simulations on parallel supercomputers. International Journal of Quantum Chemistry, 115 (16). pp. 1129-1139. doi:10.1002/qua.24952 ISSN 0020-7608.
Aldegunde, Manuel, Kermode, James R. and Zabaras , Nicholas (2016) Development of an exchangeβcorrelation functional with uncertainty quantification capabilities for density functional theory. Journal of Computational Physics, 311 . pp. 173-195. doi:10.1016/j.jcp.2016.01.034 ISSN 0021-9991.
Kermode, James R., Gleizer, Anna, Kovel, Guy, Pastewka, Lars, Csanyi, Gabor, Sherman, Dov and De Vita, Alessandro (2015) Low speed crack propagation via kink formation and advance on the silicon (110) cleavage plane. Physical Review Letters, 115 (13). pp. 1-5. 135501. doi:10.1103/PhysRevLett.115.135501 ISSN 0031-9007.
Li, Zhenwei, Kermode, James R. and De Vita, Alessandro (2015) Molecular dynamics with on-the-fly machine learning of quantum-mechanical forces. Physical Review Letters, Volume 114 . Article number 096405. doi:10.1103/PhysRevLett.114.096405 ISSN 0031-9007.
Peguiron, Anke, Ciacchi, Lucio Colombi, De Vita, Alessandro, Kermode, James R. and Moras, Gianpietro (2015) Accuracy of buffered-force QM/MM simulations of silica. Journal of Chemical Physics, 142 . 064116. doi:10.1063/1.4907786 ISSN 0021-9606.
Bitzek, Erik, Kermode, James R. and Gumbsch, Peter (2015) Atomistic aspects of fracture. International Journal of Fracture, 191 (1). pp. 13-30. doi:10.1007/s10704-015-9988-2 ISSN 0376-9429.
Kermode, James R., Peralta, Giovanni, Li, Zhenwei and De Vita, Alessandro (2014) Multiscale modelling of materials chemomechanics : brittle fracture of oxides and semiconductors. Procedia Materials Science, Volume 3 . pp. 1681-1686. doi:10.1016/j.mspro.2014.06.271 ISSN 2211-8128 .
Gleizer, Anna, Peralta, Giovanni, Kermode, James R., De Vita, Alessandro and Sherman, Dov (2014) Dissociative chemisorption of O2 inducing stress corrosion cracking in silicon crystals. Physical Review Letters, Volume 112 (Number 11). Article number 115501. doi:10.1103/PhysRevLett.112.115501 ISSN 0031-9007.
European Commission (EC)
Kermode, James R., Cereda, Silva, Tangney, P. and De Vita, Alessandro (2010) A first principles based polarizable O(N) interatomic force field for bulk silica. Journal of chemical physics, Volume 133 (Number 9). Article number 094102. doi:10.1063/1.3475565 ISSN 0021-9606.
Horizon 2020 (European Commission) (H2020)
Larsen, Ask, Mortensen, Jens, Blomqvist, Jakob, Castelli, Ivano, Christensen, Rune, Dulak, Marcin, Friis, Jesper, Groves, Michael, Hammer, Bjork, Hargus, Cory et al.
(2017)
The atomic simulation environment β a python library for working with atoms.
Journal of Physics: Condensed Matter
.
doi:10.1088/1361-648X/aa680e
ISSN 0953-8984.
Imperial College, London
Kermode, James R., Peralta, Giovanni, Li, Zhenwei and De Vita, Alessandro (2014) Multiscale modelling of materials chemomechanics : brittle fracture of oxides and semiconductors. Procedia Materials Science, Volume 3 . pp. 1681-1686. doi:10.1016/j.mspro.2014.06.271 ISSN 2211-8128 .
Imperial College, London. Rio Tinto Centre for Advanced Mineral Recovery
Caccin, Marco, Li, Zhenwei, Kermode, James R. and De Vita, Alessandro (2016) A framework for machine-learning-augmented multiscale atomistic simulations on parallel supercomputers. International Journal of Quantum Chemistry, 115 (16). pp. 1129-1139. doi:10.1002/qua.24952 ISSN 0020-7608.
Kermode, James R., Gleizer, Anna, Kovel, Guy, Pastewka, Lars, Csanyi, Gabor, Sherman, Dov and De Vita, Alessandro (2015) Low speed crack propagation via kink formation and advance on the silicon (110) cleavage plane. Physical Review Letters, 115 (13). pp. 1-5. 135501. doi:10.1103/PhysRevLett.115.135501 ISSN 0031-9007.
Li, Zhenwei, Kermode, James R. and De Vita, Alessandro (2015) Molecular dynamics with on-the-fly machine learning of quantum-mechanical forces. Physical Review Letters, Volume 114 . Article number 096405. doi:10.1103/PhysRevLett.114.096405 ISSN 0031-9007.
Peguiron, Anke, Ciacchi, Lucio Colombi, De Vita, Alessandro, Kermode, James R. and Moras, Gianpietro (2015) Accuracy of buffered-force QM/MM simulations of silica. Journal of Chemical Physics, 142 . 064116. doi:10.1063/1.4907786 ISSN 0021-9606.
Gleizer, Anna, Peralta, Giovanni, Kermode, James R., De Vita, Alessandro and Sherman, Dov (2014) Dissociative chemisorption of O2 inducing stress corrosion cracking in silicon crystals. Physical Review Letters, Volume 112 (Number 11). Article number 115501. doi:10.1103/PhysRevLett.112.115501 ISSN 0031-9007.
King's College London
Li, Zhenwei, Kermode, James R. and De Vita, Alessandro (2015) Molecular dynamics with on-the-fly machine learning of quantum-mechanical forces. Physical Review Letters, Volume 114 . Article number 096405. doi:10.1103/PhysRevLett.114.096405 ISSN 0031-9007.
Royal Academy of Engineering
Sernicola, Giorgio, Giovannini, Tommaso, Patel, Punitbhai, Kermode, James R., Balint, Daniel S., Britton, T. Ben and Giuliani, Finn (2017) In situ stable crack growth at the micron scale. Nature Communications, 8 (1). 108. doi:10.1038/s41467-017-00139-w ISSN 2041-1723.
Seventh Framework Programme (European Commission) (FP7)
Aldegunde, Manuel, Kermode, James R. and Zabaras , Nicholas (2016) Development of an exchangeβcorrelation functional with uncertainty quantification capabilities for density functional theory. Journal of Computational Physics, 311 . pp. 173-195. doi:10.1016/j.jcp.2016.01.034 ISSN 0021-9991.
Kermode, James R., Gleizer, Anna, Kovel, Guy, Pastewka, Lars, Csanyi, Gabor, Sherman, Dov and De Vita, Alessandro (2015) Low speed crack propagation via kink formation and advance on the silicon (110) cleavage plane. Physical Review Letters, 115 (13). pp. 1-5. 135501. doi:10.1103/PhysRevLett.115.135501 ISSN 0031-9007.
Li, Zhenwei, Kermode, James R. and De Vita, Alessandro (2015) Molecular dynamics with on-the-fly machine learning of quantum-mechanical forces. Physical Review Letters, Volume 114 . Article number 096405. doi:10.1103/PhysRevLett.114.096405 ISSN 0031-9007.
Peguiron, Anke, Ciacchi, Lucio Colombi, De Vita, Alessandro, Kermode, James R. and Moras, Gianpietro (2015) Accuracy of buffered-force QM/MM simulations of silica. Journal of Chemical Physics, 142 . 064116. doi:10.1063/1.4907786 ISSN 0021-9606.
Kermode, James R., Peralta, Giovanni, Li, Zhenwei and De Vita, Alessandro (2014) Multiscale modelling of materials chemomechanics : brittle fracture of oxides and semiconductors. Procedia Materials Science, Volume 3 . pp. 1681-1686. doi:10.1016/j.mspro.2014.06.271 ISSN 2211-8128 .
Gleizer, Anna, Peralta, Giovanni, Kermode, James R., De Vita, Alessandro and Sherman, Dov (2014) Dissociative chemisorption of O2 inducing stress corrosion cracking in silicon crystals. Physical Review Letters, Volume 112 (Number 11). Article number 115501. doi:10.1103/PhysRevLett.112.115501 ISSN 0031-9007.
Kermode, James R., Cereda, Silva, Tangney, P. and De Vita, Alessandro (2010) A first principles based polarizable O(N) interatomic force field for bulk silica. Journal of chemical physics, Volume 133 (Number 9). Article number 094102. doi:10.1063/1.3475565 ISSN 0021-9606.
United States. Department of Energy
Gleizer, Anna, Peralta, Giovanni, Kermode, James R., De Vita, Alessandro and Sherman, Dov (2014) Dissociative chemisorption of O2 inducing stress corrosion cracking in silicon crystals. Physical Review Letters, Volume 112 (Number 11). Article number 115501. doi:10.1103/PhysRevLett.112.115501 ISSN 0031-9007.
United States. Department of Energy. Office of Science
Sernicola, Giorgio, Giovannini, Tommaso, Patel, Punitbhai, Kermode, James R., Balint, Daniel S., Britton, T. Ben and Giuliani, Finn (2017) In situ stable crack growth at the micron scale. Nature Communications, 8 (1). 108. doi:10.1038/s41467-017-00139-w ISSN 2041-1723.
Caccin, Marco, Li, Zhenwei, Kermode, James R. and De Vita, Alessandro (2016) A framework for machine-learning-augmented multiscale atomistic simulations on parallel supercomputers. International Journal of Quantum Chemistry, 115 (16). pp. 1129-1139. doi:10.1002/qua.24952 ISSN 0020-7608.
Kermode, James R., Gleizer, Anna, Kovel, Guy, Pastewka, Lars, Csanyi, Gabor, Sherman, Dov and De Vita, Alessandro (2015) Low speed crack propagation via kink formation and advance on the silicon (110) cleavage plane. Physical Review Letters, 115 (13). pp. 1-5. 135501. doi:10.1103/PhysRevLett.115.135501 ISSN 0031-9007.
Li, Zhenwei, Kermode, James R. and De Vita, Alessandro (2015) Molecular dynamics with on-the-fly machine learning of quantum-mechanical forces. Physical Review Letters, Volume 114 . Article number 096405. doi:10.1103/PhysRevLett.114.096405 ISSN 0031-9007.
Velux Foundation
Larsen, Ask, Mortensen, Jens, Blomqvist, Jakob, Castelli, Ivano, Christensen, Rune, Dulak, Marcin, Friis, Jesper, Groves, Michael, Hammer, Bjork, Hargus, Cory et al.
(2017)
The atomic simulation environment β a python library for working with atoms.
Journal of Physics: Condensed Matter
.
doi:10.1088/1361-648X/aa680e
ISSN 0953-8984.
This list was generated on Fri Apr 19 12:30:22 2024 BST.