Communication: Three-fold covariance imaging of laser-induced Coulomb explosions von Pickering, 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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CRYSTAL23: A Program for Computational Solid State Physics and Chemistry von Erba, Alessandro, Desmarais, Jacques K., Casassa, Silvia, Civalleri, Bartolomeo, Donà, 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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Elucidating the Interaction of CO2 in the Giant Metal–Organic Framework MIL-100 through Large-Scale Periodic Ab Initio Modeling von D’Amore, Maddalena, Civalleri, Bartolomeo, Bush, Ian J, Albanese, Elisa, Ferrabone, Matteo

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A new massively parallel version of CRYSTAL for large systems on high performance computing architectures von Orlando, Roberto, Delle Piane, Massimo, Bush, Ian J., Ugliengo, Piero, Ferrabone, Matteo, Dovesi, Roberto

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Materials and Molecular Modeling at the Exascale von Keal, Thomas W., Elena, Alin-Marin, Sokol, Alexey A., Stoneham, Karen, Probert, Matt I. J., Cucinotta, Clotilde S., Willock, David J., Logsdail, Andrew J., Zen, Andrea, Hasnip, Phil J., Bush, Ian J., Watkins, Matthew, Alfe, Dario, Skylaris, Chris-Kriton, Curchod, Basile F. E., Cai, Qiong, Woodley, Scott M.

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Parallel multi-band k·p code for electronic structure of zinc blend semiconductor quantum dots von Tomić, Stanko, Sunderland, Andrew G., Bush, Ian J.

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Elucidating the Interaction of CO 2 in the Giant Metal–Organic Framework MIL-100 through Large-Scale Periodic Ab Initio Modeling von D’Amore, Maddalena, Civalleri, Bartolomeo, Bush, Ian J., Albanese, Elisa, Ferrabone, Matteo

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QM/MM modelling of the TS-1 catalyst using HPCx von To, Judy, Sherwood, Paul, Sokol, Alexey A., Bush, Ian J., Catlow, C. Richard A., van Dam, Huub J. J., French, Samuel A., Guest, Martyn F.

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Introducing k-point parallelism into VASP von Maniopoulou, Asimina, Davidson, Erlend R.M., Grau-Crespo, Ricardo, Walsh, Aron, Bush, Ian J., Catlow, C. Richard A., Woodley, Scott M.

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Ab Initio potential grid based docking: From High Performance Computing to In Silico Screening von de Jonge, Marc R, Vinkers, H Maarten, van Lenthe, Joop H, Daeyaert, Frits, Bush, Ian J, van Dam, Huub J J, Sherwood, Paul, Guest, Martyn F

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HPCx: towards capability computing von Ashworth, Mike, Bush, Ian J., Guest, Martyn F., Sunderland, Andrew G., Booth, Stephen, Hein, Joachim, Smith, Lorna, Stratford, Kevin, Curioni, Alessandro

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Coupled perturbed Kohn-Sham calculation of static polarizabilities of periodic compounds von Ferrero, M, Rérat, M, Orlando, R, Dovesi, R, Bush, I J

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Parallel multi-band k.p code for electronic structure of zinc blend semiconductor quantum dots von Tomie, Stanko, Sunderland, Andrew G, Bush, Ian J

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The view from the high end fortran, parallelism and the HECToR service von Bush, Ian J.

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Parallel multi-band k-p code for electronic structure of zinc blend semiconductor quantum dots: High performance computing in materials chemistry von TOMIC, Stanko, SUNDERLAND, Andrew G, BUSH, Ian J

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QM/MM modelling of the TS-1 catalyst using HPCx: High performance computing in materials chemistry von TO, Judy, SHERWOOD, Paul, SOKOL, Alexey A, BUSH, Ian J, CALLOW, C. Richard A, VAN DAM, Huub J. J, FRENCH, Samuel A, GUEST, Martyn F

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DL POLY 3 I/O: Analysis, Alternatives, and Future Strategies von Todorovm, Ilian T., Bush, Ian J., Porter, Andrew R.

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Homologs of the Acinetobacter baumannii AceI transporter represent a new family of bacterial multidrug efflux systems von Hassan, Karl A, Liu, Qi, Henderson, Peter J F, Paulsen, Ian T

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The Role of Chest Imaging in Patient Management During the COVID-19 Pandemic: A Multinational Consensus Statement From the Fleischner Society von Rubin, Geoffrey D, Ryerson, Christopher J, Haramati, Linda B, Sverzellati, Nicola, Kanne, Jeffrey P, Raoof, Suhail, Schluger, Neil W, Volpi, Annalisa, Yim, Jae-Joon, Martin, Ian B K, Anderson, Deverick J, Kong, Christina, Altes, Talissa, Bush, Andrew, Desai, Sujal R, Goldin, Jonathan, Goo, Jin Mo, Humbert, Marc, Inoue, Yoshikazu, Kauczor, Hans-Ulrich, Luo, Fengming, Mazzone, Peter J, Prokop, Mathias, Remy-Jardin, Martine, Richeldi, Luca, Schaefer-Prokop, Cornelia M, Tomiyama, Noriyuki, Wells, Athol U, Leung, Ann N

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Apo2L/TRAIL and the Death Receptor 5 Agonist Antibody AMG 655 Cooperate to Promote Receptor Clustering and Antitumor Activity von Graves, Jonathan D., Kordich, Jennifer J., Huang, Tzu-Hsuan, Piasecki, Julia, Bush, Tammy L., Sullivan, Timothy, Foltz, Ian N., Chang, Wesley, Douangpanya, Heather, Dang, Thu, O’Neill, Jason W., Mallari, Rommel, Zhao, Xiaoning, Branstetter, Daniel G., Rossi, John M., Long, Alexander M., Huang, Xin, Holland, Pamela M.

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