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I

Ian J. Bush

university of oxford

20H-index
40Paper Count
2.3KCitation Count
Published Papers 14
Publication Date
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CRYSTAL23: A Program for Computational Solid State Physics and Chemistry
errJOURNAL OF CHEMICAL THEORY AND COMPUTATION
IF5.5
err2022-12-11
err137
errOAAI
errErba, Alessandro; Desmarais, Jacques K.; Casassa, Silvia; Civalleri, Bartolomeo; Dona, Lorenzo; Bush, Ian J.; Searle, Barry; Maschio, Lorenzo; Edith-Daga, Loredana; Cossard, Alessandro; Ribaldone, Chiara; Ascrizzi, Eleonora; Marana, Naiara L.; Flament, Jean-Pierre; Kirtman, Bernard
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Barely sufficient practices in scientific computing
errPATTERNS
IF7.4
err2021-02-01
err5
errOAAI
errLee, Graham; Bacon, Sebastian; Bush, Ian; Fortunato, Laura; Gavaghan, David; Lestang, Thibault; Morton, Caroline; Robinson, Martin; Rocca-Serra, Philippe; Sansone, Susanna-Assunta; Webb, Helena
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errSave
The CRYSTAL code, 1976-2020 and beyond, a long story
errJOURNAL OF CHEMICAL PHYSICS
IF3.1
err2020-05-27
err158
errOAAI
errDovesi, Roberto; Pascale, Fabien; Civalleri, Bartolomeo; Doll, Klaus; Harrison, Nicholas M.; Bush, Ian; D'Arco, Philippe; Noel, Yves; Rerat, Michel; Carbonniere, Philippe; Causa, Mauro; Salustro, Simone; Lacivita, Valentina; Kirtman, Bernard; Ferrari, Anna Maria; Gentile, Francesco Silvio; Baima, Jacopo; Ferrero, Mauro; Demichelis, Raffaella; De La Pierre, Marco
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errSave
Cost-effective composite methods for large-scale solid-state calculations
errFARADAY DISCUSSIONS
IF3.1
err2020-01-01
err14
errOAAI
errDona, L.; Brandenburg, J. G.; Bush, I. J.; Civalleri, B.
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errSave
Elucidating the Interaction of CO2 in the Giant Metal-Organic Framework MIL-100 through Large-Scale Periodic Ab Initio Modeling
errJOURNAL OF PHYSICAL CHEMISTRY C
IF3.2
err2019-11-02
err15
PREAI
errD'Amore, Maddalena; Civalleri, Bartolomeo; Bush, Ian J.; Albanese, Elisa; Ferrabone, Matteo
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errSave
Large-Scale Condensed Matter DFT Simulations: Performance and Capabilities of the CRYSTAL Code
errJOURNAL OF CHEMICAL THEORY AND COMPUTATION
IF5.5
err2017-09-19
err141
errOAAI
errErba, A.; Baima, J.; Bush, I.; Orlando, R.; Dovesi, R.
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errSave
Communication: Three-fold covariance imaging of laser-induced Coulomb explosions
errJOURNAL OF CHEMICAL PHYSICS
IF3.1
err2016-04-28
err31
errOAAI
errPickering, James D.; Amini, Kasra; Brouard, Mark; Burt, Michael; Bush, Ian J.; Christensen, Lauge; Lauer, Alexandra; Nielsen, Jens H.; Slater, Craig S.; Stapelfeldt, Henrik
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Introducing k-point parallelism into VASP
errCOMPUTER PHYSICS COMMUNICATIONS
IF3.4
err2012-08-01
err31
errOAAI
errManiopoulou, Asimina; Davidson, Erlend R. M.; Grau-Crespo, Ricardo; Walsh, Aron; Bush, Ian J.; Catlow, C. Richard A.; Woodley, Scott M.
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errSave
A new massively parallel version of CRYSTAL for large systems on high performance computing architectures
errJOURNAL OF COMPUTATIONAL CHEMISTRY
IF4.8
err2012-07-19
err40
errOAAI
errOrlando, Roberto; Delle Piane, Massimo; Bush, Ian J.; Ugliengo, Piero; Ferrabone, Matteo; Dovesi, Roberto
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errSave
Realistic Models of Hydroxylated Amorphous Silica Surfaces and MCM-41 Mesoporous Material Simulated by Large-scale Periodic B3LYP Calculations
errADVANCED MATERIALS
IF26.8
err2008-12-04
err203
PREAI
errUgliengo, P.; Sodupe, M.; Musso, F.; Bush, I. J.; Orlando, R.; Dovesi, R.
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errSave
A DAFT DL_POLY1 distributed memory adaptation of the smoothed particle mesh Ewald method
errCOMPUTER PHYSICS COMMUNICATIONS
IF3.4
err2006-09-01
err42
PREAI
errBush, I. J.; Todorov, I. T.; Smith, W.
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errSave
On the performance of molecular dynamics applications on current high-end systems
errPHILOSOPHICAL TRANSACTIONS OF THE ROYAL SOCIETY A-MATHEMATICAL PHYSICAL AND ENGINEERING SCIENCES
IF3.7
err2005-07-20
err20
PREAI
errHein, JI; Reid, F; Smith, L; Bush, I; Guest, M; Sherwood, P
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errSave
Stability of rocksalt polar surfaces:: An ab initio study of MgO(111) and NiO(111) -: art. no. 233405
errPHYSICAL REVIEW B
IF3.7
err2003-12-18
err129
errOAAI
errWander, A; Bush, IJ; Harrison, NM
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errSave
Linear-scaling DFT-pseudopotential calculations on parallel computers
errCOMPUTER PHYSICS COMMUNICATIONS
IF3.4
err1997-05-01
err62
PREAI
errGoringe, CM; Hernandez, E; Gillan, MJ; Bush, IJ
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Research Directions

No research directions
Co-authors
Cooperation Journals
A
Aron Walsh
H-index: 126 · Papers: 984
C
C. Richard A. Catlow
H-index: 111 · Papers: 1.4K
R
Roberto Dovesi
H-index: 74 · Papers: 406
M
M. J. Gillan
H-index: 72 · Papers: 359
N
N. M. Harrison
H-index: 63 · Papers: 346
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