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Dario Alfè
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2020 – today
- 2022
- [j4]Thomas W. Keal
, Alin-Marin Elena
, Alexey A. Sokol
, Karen Stoneham, Matt I. J. Probert
, Clotilde S. Cucinotta
, David J. Willock
, Andrew J. Logsdail
, Andrea Zen
, Phil J. Hasnip
, Ian J. Bush
, Matthew B. Watkins
, Dario Alfè
, Chris-Kriton Skylaris
, Basile F. E. Curchod
, Qiong Cai
, Scott M. Woodley
:
Materials and Molecular Modeling at the Exascale. Comput. Sci. Eng. 24(1): 36-45 (2022) - 2021
- [c2]Aymen Al Saadi, Dario Alfè, Yadu N. Babuji, Agastya Bhati
, Ben Blaiszik, Alexander Brace, Thomas S. Brettin, Kyle Chard
, Ryan Chard, Austin Clyde, Peter V. Coveney, Ian T. Foster, Tom Gibbs, Shantenu Jha
, Kristopher Keipert, Dieter Kranzlmüller, Thorsten Kurth, Hyungro Lee, Zhuozhao Li
, Heng Ma, Gerald Mathias
, André Merzky, Alexander Partin
, Arvind Ramanathan, Ashka Shah, Abraham C. Stern, Rick Stevens, Li Tan, Mikhail Titov, Anda Trifan, Aristeidis Tsaris, Matteo Turilli
, Huub J. J. Van Dam
, Shunzhou Wan, David Wifling, Junqi Yin:
IMPECCABLE: Integrated Modeling PipelinE for COVID Cure by Assessing Better LEads. ICPP 2021: 40:1-40:12 - [c1]Hyungro Lee, André Merzky, Li Tan, Mikhail Titov
, Matteo Turilli
, Dario Alfè, Agastya Bhati
, Alex Brace, Austin Clyde, Peter V. Coveney, Heng Ma, Arvind Ramanathan, Rick Stevens, Anda Trifan, Hubertus Van Dam
, Shunzhou Wan, Sean R. Wilkinson
, Shantenu Jha
:
Scalable HPC & AI infrastructure for COVID-19 therapeutics. PASC 2021: 2:1-2:13 - [i3]Agastya P. Bhati, Shunzhou Wan, Dario Alfè, Austin R. Clyde, Mathis Bode, Li Tan, Mikhail Titov, André Merzky, Matteo Turilli, Shantenu Jha, Roger R. Highfield, Walter Rocchia, Nicola Scafuri, Sauro Succi, Dieter Kranzlmüller, Gerald Mathias, David Wifling, Yann Donon, Alberto Di Meglio, Sofia Vallecorsa, Heng Ma, Anda Trifan, Arvind Ramanathan, Tom Brettin, Alexander Partin, Fangfang Xia, Xiaotan Duan, Rick Stevens, Peter V. Coveney:
Pandemic Drugs at Pandemic Speed: Accelerating COVID-19 Drug Discovery with Hybrid Machine Learning- and Physics-based Simulations on High Performance Computers. CoRR abs/2103.02843 (2021) - 2020
- [i2]Aymen Al Saadi, Dario Alfè, Yadu N. Babuji, Agastya Bhati
, Ben Blaiszik, Thomas S. Brettin, Kyle Chard, Ryan Chard, Peter V. Coveney, Anda Trifan, Alex Brace, Austin Clyde, Ian T. Foster, Tom Gibbs, Shantenu Jha, Kristopher Keipert, Thorsten Kurth, Dieter Kranzlmüller, Hyungro Lee, Zhuozhao Li, Heng Ma, André Merzky
, Gerald Mathias, Alexander Partin, Junqi Yin, Arvind Ramanathan, Ashka Shah, Abraham C. Stern, Rick Stevens, Li Tan, Mikhail Titov, Aristeidis Tsaris, Matteo Turilli
, Huub J. J. Van Dam, Shunzhou Wan, David Wifling
:
IMPECCABLE: Integrated Modeling PipelinE for COVID Cure by Assessing Better LEads. CoRR abs/2010.06574 (2020) - [i1]Hyungro Lee, André Merzky
, Li Tan, Mikhail Titov, Matteo Turilli
, Dario Alfè, Agastya Bhati
, Alex Brace, Austin Clyde, Peter V. Coveney, Heng Ma, Arvind Ramanathan, Rick Stevens, Anda Trifan, Hubertus Van Dam, Shunzhou Wan, Sean R. Wilkinson, Shantenu Jha:
Scalable HPC and AI Infrastructure for COVID-19 Therapeutics. CoRR abs/2010.10517 (2020)
2010 – 2019
- 2015
- [j3]William D. Parker
, C. J. Umrigar, Dario Alfè
, F. R. Petruzielo, Richard G. Hennig, John W. Wilkins:
Comparison of polynomial approximations to speed up planewave-based quantum Monte Carlo calculations. J. Comput. Phys. 287: 77-87 (2015)
2000 – 2009
- 2009
- [j2]Dario Alfè
:
PHON: A program to calculate phonons using the small displacement method. Comput. Phys. Commun. 180(12): 2622-2633 (2009) - 2008
- [j1]Michael J. Gillan, Dario Alfè
, Stefano de Gironcoli
, Frederick R. Manby:
High-precision calculation of Hartree-Fock energy of crystals. J. Comput. Chem. 29(13): 2098-2106 (2008)
Coauthor Index
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