Many-body perturbation theory calculations using the yambo code D Sangalli, A Ferretti, H Miranda, C Attaccalite, I Marri, E Cannuccia, ... Journal of Physics: Condensed Matter 31 (32), 325902, 2019 | 435 | 2019 |
Multidimensional view of amyloid fibril nucleation in atomistic detail F Baftizadeh, X Biarnes, F Pietrucci, F Affinito, A Laio Journal of the American Chemical Society 134 (8), 3886-3894, 2012 | 94 | 2012 |
Biased molecular simulations for free-energy mapping: a comparison on the KcsA channel as a test case E Piccinini, M Ceccarelli, F Affinito, R Brunetti, C Jacoboni Journal of chemical theory and computation 4 (1), 173-183, 2008 | 46 | 2008 |
Quantum ESPRESSO: One Further Step toward the Exascale I Carnimeo, F Affinito, S Baroni, O Baseggio, L Bellentani, R Bertossa, ... Journal of Chemical Theory and Computation 19 (20), 6992-7006, 2023 | 30 | 2023 |
Shot noise in single open ion channels: A computational approach based on atomistic simulations R Brunetti, F Affinito, C Jacoboni, E Piccinini, M Rudan Journal of Computational Electronics 6, 391-394, 2007 | 12 | 2007 |
Exploring free-energy profiles through ion channels: Comparison on a test case E Piccinini, F Affinito, R Brunetti, C Jacoboni, M Ceccarelli Journal of Computational Electronics 6, 373-376, 2007 | 10 | 2007 |
Performance analysis and optimization of the fftxlib on the intel knights landing architecture M Wagner, V López, J Morillo, C Cavazzoni, F Affinito, J Giménez, ... 2017 46th International Conference on Parallel Processing Workshops (ICPPW …, 2017 | 7 | 2017 |
Performance Analysis and Petascaling Enabling of GROMACS F Affinito, A Emerson, L Litov, P Petkov, R Apostolov, L Axner, B Hess, ... PRACE white paper, 1-12, 2012 | 6 | 2012 |
Computational analysis of current and noise properties of a single open ion channel E Piccinini, F Affinito, R Brunetti, C Jacoboni, M Rudan Journal of Chemical Theory and Computation 3 (1), 248-255, 2007 | 6 | 2007 |
Simulation of amyloid nucleation with bias-exchange metadynamics FB Baghal, X Biarnes, F Pietrucci, A Laio, F Affinito Biophysical Journal 102 (3), 242a, 2012 | 4 | 2012 |
First report on code profiling and bottleneck identification, structured plan of forward activities C Cavazzoni, F Affinito, C Uliana Alekseeva, AD Cardoso, P Delugas, ... Deliverable D4 2, 0 | 4 | |
Prediction of time-to-solution in material science simulations using Deep Learning F Pittino, P Bonfà, A Bartolini, F Affinito, L Benini, C Cavazzoni Proceedings of the Platform for Advanced Scientific Computing Conference, 1-9, 2019 | 2 | 2019 |
FFT data distribution in plane-waves DFT codes. A case study from Quantum ESPRESSO F Affinito, C Cavazzoni Proceedings of the 23rd European MPI Users' Group Meeting, 212-212, 2016 | 2 | 2016 |
Enabling a Quantum Monte Carlo application for the DEEP architecture A Emerson, F Affinito 2015 International Conference on High Performance Computing & Simulation …, 2015 | 2 | 2015 |
Programming model and application porting to the Dynamical Exascale Entry Platform (DEEP) AD Mallon, T Lippert, V Beltran, F Affinito, S Jaure, H Merx, J Labarta, ... Proceedings of the Exascale Applications and Software Conference, Edinburgh …, 2013 | 2 | 2013 |
Performance and energy efficiency in material science simulation on heterogeneous architectures E Pascolo, F Affinito, C Cavazzoni 2014 International Conference on High Performance Computing & Simulation …, 2014 | 1 | 2014 |
Physical Mechanisms for Ion-Current Levelling Off in the KcsA Channel Through Combined Monte Carlo/Molecular Dynamics Simulations E Piccinini, F Affinito, R Brunetti, C Jacoboni, M Rudan Nonequilibrium Carrier Dynamics in Semiconductors: Proceedings of the 14th …, 2006 | 1 | 2006 |
A Simulative Model for the Analysis of Conduction Properties of Ion Channels Based on First-Principle Approaches F Affinito, R Brunetti, C Jacoboni, E Piccinini, M Rudan, A Bigiani, ... Journal of Computational Electronics 4, 171-174, 2005 | 1 | 2005 |
Quantum ESPRESSO towards performance portability: GPU offload with OpenMP FF Ruffino, L Bellentani, G Rossi, F Affinito, S Baroni, O Baseggio, ... Procedia Computer Science 240, 52-60, 2024 | | 2024 |
Material Science codes on innovative HPC architectures@ CINECA 2017 F Affinito, M Cestari, A Marani, D Sangalli, N Spallanzani, M Ippolito, ... | | 2016 |