Enhancement of DFT-calculations at petascale: Nuclear Magnetic Resonance, Hybrid Density Functional Theory and Car–Parrinello calculations
Varini, Nicola, Ceresoli, Davide, Martin-Samos, Layla, Girotto, Ivan, Cavazzoni, Carlo
Published in Computer physics communications (01.08.2013)
Published in Computer physics communications (01.08.2013)
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Journal Article
Build up of yield stress fluids via chaotic emulsification
Girotto, Ivan, Benzi, Roberto, Di Staso, Gianluca, Scagliarini, Andrea, Schifano, Sebastiano Fabio, Toschi, Federico
Published in Journal of turbulence (03.06.2022)
Published in Journal of turbulence (03.06.2022)
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Journal Article
Phospholipids dock SARS-CoV-2 spike protein via hydrophobic interactions: a minimal in-silico study of lecithin nasal spray therapy
Qaisrani, Muhammad Nawaz, Belousov, Roman, Rehman, Jawad Ur, Goliaei, Elham Moharramzadeh, Girotto, Ivan, Franklin-Mergarejo, Ricardo, Güell, Oriol, Hassanali, Ali, Roldán, Édgar
Published in The European physical journal. E, Soft matter and biological physics (01.11.2021)
Published in The European physical journal. E, Soft matter and biological physics (01.11.2021)
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Journal Article
Lagrangian statistics of dense emulsions
Girotto, Ivan, Scagliarini, Andrea, Benzi, Roberto, Toschi, Federico
Published in arXiv.org (26.07.2023)
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Published in arXiv.org (26.07.2023)
Paper
Build up of yield stress fluids via chaotic emulsification
Girotto, Ivan, Benzi, Roberto, Gianluca Di Staso, Scagliarini, Andrea, Schifano, Sebastiano Fabio, Toschi, Federico
Published in arXiv.org (24.11.2021)
Published in arXiv.org (24.11.2021)
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Paper
Journal Article
Massively parallel implementation and approaches to simulate quantum dynamics using Krylov subspace techniques
Brenes, Marlon, Varma, Vipin Kerala, Scardicchio, Antonello, Girotto, Ivan
Published in arXiv.org (10.04.2017)
Published in arXiv.org (10.04.2017)
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Paper
Journal Article
phiGEMM: A CPU-GPU Library for Porting Quantum ESPRESSO on Hybrid Systems
Spiga, F., Girotto, I.
Published in 2012 20th Euromicro International Conference on Parallel, Distributed and Network-based Processing (01.02.2012)
Published in 2012 20th Euromicro International Conference on Parallel, Distributed and Network-based Processing (01.02.2012)
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Conference Proceeding