An excited-state approach within full configuration interaction quantum Monte Carlo
Blunt, N S, Smart, Simon D, Booth, George H, Alavi, Ali
Published in The Journal of chemical physics (07.10.2015)
Published in The Journal of chemical physics (07.10.2015)
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Journal Article
Combining the Complete Active Space Self-Consistent Field Method and the Full Configuration Interaction Quantum Monte Carlo within a Super-CI Framework, with Application to Challenging Metal-Porphyrins
Li Manni, Giovanni, Smart, Simon D, Alavi, Ali
Published in Journal of chemical theory and computation (08.03.2016)
Published in Journal of chemical theory and computation (08.03.2016)
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Journal Article
NECI: N-Electron Configuration Interaction with an emphasis on state-of-the-art stochastic methods
Guther, Kai, Anderson, Robert J., Blunt, Nick S., Bogdanov, Nikolay A., Cleland, Deidre, Dattani, Nike, Dobrautz, Werner, Ghanem, Khaldoon, Jeszenszki, Peter, Liebermann, Niklas, Manni, Giovanni Li, Lozovoi, Alexander Y., Luo, Hongjun, Ma, Dongxia, Merz, Florian, Overy, Catherine, Rampp, Markus, Samanta, Pradipta Kumar, Schwarz, Lauretta R., Shepherd, James J., Smart, Simon D., Vitale, Eugenio, Weser, Oskar, Booth, George H., Alavi, Ali
Published in The Journal of chemical physics (21.07.2020)
Published in The Journal of chemical physics (21.07.2020)
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Journal Article
Performance Comparison of DAOS and Lustre for Object Data Storage Approaches
Manubens, Nicolau, Smart, Simon D., Quintino, Tiago, Jackson, Adrian
Published in 2022 IEEE/ACM International Parallel Data Systems Workshop (PDSW) (01.11.2022)
Published in 2022 IEEE/ACM International Parallel Data Systems Workshop (PDSW) (01.11.2022)
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Conference Proceeding
DAOS as HPC Storage: a View From Numerical Weather Prediction
Manubens, Nicolau, Quintino, Tiago, Smart, Simon D., Danovaro, Emanuele, Jackson, Adrian
Published in 2023 IEEE International Parallel and Distributed Processing Symposium (IPDPS) (01.05.2023)
Published in 2023 IEEE International Parallel and Distributed Processing Symposium (IPDPS) (01.05.2023)
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Conference Proceeding
Exploring DAOS Interfaces and Performance
Manubens, Nicolau, Lombardi, Johann, Smart, Simon D, Danovaro, Emanuele, Quintino, Tiago, Hildebrand, Dean, Jackson, Adrian
Year of Publication 27.09.2024
Year of Publication 27.09.2024
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Journal Article
Reducing the Impact of I/O Contention in Numerical Weather Prediction Workflows at Scale Using DAOS
Manubens, Nicolau, Smart, Simon D, Danovaro, Emanuele, Quintino, Tiago, Jackson, Adrian
Year of Publication 03.04.2024
Year of Publication 03.04.2024
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Journal Article
DAOS as HPC Storage, a view from Numerical Weather Prediction
Manubens, Nicolau, Quintino, Tiago, Smart, Simon D, Danovaro, Emanuele, Jackson, Adrian
Year of Publication 13.08.2022
Year of Publication 13.08.2022
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Journal Article
Exploring DAOS Interfaces and Performance
Nicolau Manubens, Lombardi, Johann, Smart, Simon D, Danovaro, Emanuele, Quintino, Tiago, Hildebrand, Dean, Jackson, Adrian
Published in arXiv.org (27.09.2024)
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Published in arXiv.org (27.09.2024)
Paper
Performance Comparison of DAOS and Lustre for Object Data Storage Approaches
Nicolau Manubens, Smart, Simon D, Quintino, Tiago, Jackson, Adrian
Published in arXiv.org (16.11.2022)
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Published in arXiv.org (16.11.2022)
Paper
DAOS as HPC Storage, a view from Numerical Weather Prediction
Nicolau Manubens, Quintino, Tiago, Smart, Simon D, Danovaro, Emanuele, Jackson, Adrian
Published in arXiv.org (27.02.2023)
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Published in arXiv.org (27.02.2023)
Paper
NECI: N-Electron Configuration Interaction with emphasis on state-of-the-art stochastic methods
Guther, Kai, Anderson, Robert J, Blunt, Nick S, Bogdanov, Nikolay A, Cleland, Deidre, Dattani, Nike, Dobrautz, Werner, Ghanem, Khaldoon, Jeszenski, Peter, Liebermann, Niklas, Giovanni Li Manni, Lozovoi, Alexander Y, Luo, Hongjun, Ma, Dongxia, Merz, Florian, Overy, Catherine, Rampp, Markus, Samanta, Pradipta K, Schwarz, Lauretta R, Shepherd, James J, Smart, Simon D, Vitale, Eugenio, Weser, Oskar, Booth, George H, Alavi, Ali
Published in arXiv.org (26.06.2020)
Published in arXiv.org (26.06.2020)
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Paper
Journal Article
Linear-scaling and parallelizable algorithms for stochastic quantum chemistry
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Paper
Journal Article
Semi-stochastic full configuration interaction quantum Monte Carlo: developments and application
Blunt, N S, Smart, Simon D, Kersten, J A F, Spencer, J S, Booth, George H, Alavi, Ali
Published in arXiv.org (29.04.2015)
Published in arXiv.org (29.04.2015)
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Paper
Journal Article