Evaluating orthogonality between application auto-tuning and run-time resource management for adaptive OpenCL applications. - Edoardo Paone; Davide Gadioli; Gianluca Palermo; Vittorio Zaccaria; Cristina Silvano (ASAP, 2014)

OpenCL Application Auto-tuning and Run-Time Resource Management for Multi-core Platforms. - Davide Gadioli; Simone Libutti; Giuseppe Massari; Edoardo Paone; Michele Scandale; Patrick Bellasi; Gianluca Palermo; Vittorio Zaccaria; Giovanni Agosta; William Fornaciari; Cristina Silvano (ISPA, 2014)

Application autotuning to support runtime adaptivity in multicore architectures. - Davide Gadioli; Gianluca Palermo; Cristina Silvano (SAMOS, 2015)

The ANTAREX approach to autotuning and adaptivity for energy efficient HPC systems. - Cristina Silvano; Giovanni Agosta; Stefano Cherubin; Davide Gadioli; Gianluca Palermo; Andrea Bartolini; Luca Benini; Jan Martinovic; Martin Palkovic; Katerina Slaninová; João Bispo; João M. P. Cardoso; et al. (Conf. Computing Frontiers, 2016)

Application Adaptation at Runtime through Dynamic Knobs Autotuning. - Davide Gadioli; Gianluca Palermo; Cristina Silvano (RES4ANT@DATE, 2016)

CONTREX: Design of Embedded Mixed-Criticality CONTRol Systems under Consideration of EXtra-Functional Properties. - Ralph Görgen; Kim Grüttner; Fernando Herrera; Pablo Peñil; Julio L. Medina; Eugenio Villar; Gianluca Palermo; William Fornaciari; Carlo Brandolese; Davide Gadioli; Sara Bocchio; Luca Ceva; et al. (DSD, 2016)

The ANTAREX tool flow for monitoring and autotuning energy efficient HPC systems. - Cristina Silvano; Giovanni Agosta; Jorge G. Barbosa; Andrea Bartolini; Andrea Rosario Beccari; Luca Benini; João Bispo; João M. P. Cardoso; Carlo Cavazzoni; Stefano Cherubin; Radim Cmar; Davide Gadioli; et al. (SAMOS, 2017)

CONTREX: Design of embedded mixed-criticality CONTRol systems under consideration of EXtra-functional properties. - Kim Grüttner; Ralph Görgen; Sören Schreiner; Fernando Herrera; Pablo Peñil; Julio L. Medina; Eugenio Villar; Gianluca Palermo; William Fornaciari; Carlo Brandolese; Davide Gadioli; Emanuele Vitali; et al. (Microprocess. Microsystems, 2017)

Autotuning and adaptivity in energy efficient HPC systems: the ANTAREX toolbox. - Cristina Silvano; Gianluca Palermo; Giovanni Agosta; Amir H. Ashouri; Davide Gadioli; Stefano Cherubin; Emanuele Vitali; Luca Benini; Andrea Bartolini; Daniele Cesarini; João M. P. Cardoso; João Bispo; et al. (CF, 2018)

SOCRATES - A seamless online compiler and system runtime autotuning framework for energy-aware applications. - Davide Gadioli; Ricardo Nobre; Pedro Pinto 002; Emanuele Vitali; Amir H. Ashouri; Gianluca Palermo; João M. P. Cardoso; Cristina Silvano (DATE, 2018)

ANTAREX: A DSL-Based Approach to Adaptively Optimizing and Enforcing Extra-Functional Properties in High Performance Computing. - Cristina Silvano; Giovanni Agosta; Andrea Bartolini; Andrea Rosario Beccari; Luca Benini; Loïc Besnard; João Bispo; Radim Cmar; João M. P. Cardoso; Carlo Cavazzoni; Stefano Cherubin; Davide Gadioli; et al. (DSD, 2018)

Accelerating a Geometric Approach to Molecular Docking with OpenACC. - Emanuele Vitali; Davide Gadioli; Gianluca Palermo; Andrea Beccari; Cristina Silvano (PBio@EuroMPI, 2018)

Design Space Pruning and Computational Workload Splitting for Autotuning OpenCL Applications. - Ahmet Erdem; Davide Gadioli; Gianluca Palermo; Cristina Silvano (RAPIDO, 2018)

An hybrid approach to accelerate a molecular docking application for virtual screening in heterogeneous nodes: POSTER. - Emanuele Vitali; Davide Gadioli; Andrea Beccari; Carlo Cavazzoni; Cristina Silvano; Gianluca Palermo (CF, 2019)

Supporting the Scale-Up of High Performance Application to Pre-Exascale Systems: The ANTAREX Approach. - Cristina Silvano; Giovanni Agosta; Andrea Bartolini; Andrea Rosario Beccari; Luca Benini; Loïc Besnard; João Bispo; Radim Cmar; João M. P. Cardoso; Carlo Cavazzoni; Daniele Cesarini; Stefano Cherubin; et al. (PDP, 2019)

The ANTAREX Domain Specific Language for High Performance Computing. - Cristina Silvano; Giovanni Agosta; Andrea Bartolini; Andrea Rosario Beccari; Luca Benini; Loïc Besnard; João Bispo; Radim Cmar; João M. P. Cardoso; Carlo Cavazzoni; Daniele Cesarini; Stefano Cherubin; et al. (CoRR, 2019)

On-line Application Autotuning Exploiting Ensemble Models. - Tomás Martinovic; Davide Gadioli; Gianluca Palermo; Cristina Silvano (CoRR, 2019)

Exploiting OpenMP & OpenACC to Accelerate a Molecular Docking Mini-App in Heterogeneous HPC Nodes. - Emanuele Vitali; Davide Gadioli; Gianluca Palermo; Andrea Beccari; Carlo Cavazzoni; Cristina Silvano (CoRR, 2019)

The ANTAREX domain specific language for high performance computing. - Cristina Silvano; Giovanni Agosta; Andrea Bartolini; Andrea Rosario Beccari; Luca Benini; Loïc Besnard; João Bispo; Radim Cmar; João M. P. Cardoso; Carlo Cavazzoni; Daniele Cesarini; Stefano Cherubin; et al. (Microprocess. Microsystems, 2019)

mARGOt: A Dynamic Autotuning Framework for Self-Aware Approximate Computing. - Davide Gadioli; Emanuele Vitali; Gianluca Palermo; Cristina Silvano (IEEE Trans. Computers, 2019)

Exploiting OpenMP and OpenACC to accelerate a geometric approach to molecular docking in heterogeneous HPC nodes. - Emanuele Vitali; Davide Gadioli; Gianluca Palermo; Andrea Beccari; Carlo Cavazzoni; Cristina Silvano (J. Supercomput., 2019)

Dynamic application autotuning for self-aware approximate computing. - Davide Gadioli (2019)

Parametric Throughput Oriented Large Integer Multipliers for High Level Synthesis. - Emanuele Vitali; Davide Gadioli; Fabrizio Ferrandi; Gianluca Palermo (DATE, 2021)

Understanding the I/O Impact on the Performance of High-Throughput Molecular Docking. - Stefano Markidis; Davide Gadioli; Emanuele Vitali; Gianluca Palermo (PDSW@SC, 2021)

EXSCALATE: An extreme-scale in-silico virtual screening platform to evaluate 1 trillion compounds in 60 hours on 81 PFLOPS supercomputers. - Davide Gadioli; Emanuele Vitali; Federico Ficarelli; Chiara Latini; Candida Manelfi; Carmine Talarico; Cristina Silvano; Carlo Cavazzoni; Gianluca Palermo; Andrea Rosario Beccari (CoRR, 2021)

A Review on Parallel Virtual Screening Softwares for High Performance Computers. - Natarajan Arul Murugan; Artur Podobas; Davide Gadioli; Emanuele Vitali; Gianluca Palermo; Stefano Markidis (CoRR, 2021)

An Efficient Monte Carlo-Based Probabilistic Time-Dependent Routing Calculation Targeting a Server-Side Car Navigation System. - Emanuele Vitali; Davide Gadioli; Gianluca Palermo; Martin Golasowski; João Bispo; Pedro Pinto 002; Jan Martinovic; Katerina Slaninová; João M. P. Cardoso; Cristina Silvano (IEEE Trans. Emerg. Top. Comput., 2021)

Tunable approximations to control time-to-solution in an HPC molecular docking Mini-App. - Davide Gadioli; Gianluca Palermo; Stefano Cherubin; Emanuele Vitali; Giovanni Agosta; Candida Manelfi; Andrea Rosario Beccari; Carlo Cavazzoni; Nico Sanna; Cristina Silvano (J. Supercomput., 2021)

An extreme-scale virtual screening platform for drug discovery. - Davide Gadioli; Emanuele Vitali; Federico Ficarelli; Chiara Latini; Candida Manelfi; Carmine Talarico; Cristina Silvano; Andrea Rosario Beccari; Gianluca Palermo (CF, 2022)

Towards a Portable Drug Discovery Pipeline with SYCL 2020. - Luigi Crisci; Majid Salimi Beni; Biagio Cosenza; Nicolò Scipione; Davide Gadioli; Emanuele Vitali; Gianluca Palermo; Andrea Beccari (IWOCL, 2022)

GPU-optimized Approaches to Molecular Docking-based Virtual Screening in Drug Discovery: A Comparative Analysis. - Emanuele Vitali; Federico Ficarelli; Mauro Bisson; Davide Gadioli; Massimiliano Fatica; Andrea Rosario Beccari; Gianluca Palermo (CoRR, 2022)

Legio: fault resiliency for embarrassingly parallel MPI applications. - Roberto Rocco; Davide Gadioli; Gianluca Palermo (J. Supercomput., 2022)

Pegasus: Performance Engineering for Software Applications Targeting HPC Systems. - Pedro Pinto 002; João Bispo; João M. P. Cardoso; Jorge G. Barbosa; Davide Gadioli; Gianluca Palermo; Jan Martinovic; Martin Golasowski; Katerina Slaninová; Radim Cmar; Cristina Silvano (IEEE Trans. Software Eng., 2022)

Tunable and Portable Extreme-Scale Drug Discovery Platform at Exascale: the LIGATE Approach. - Gianluca Palermo; Gianmarco Accordi; Davide Gadioli; Emanuele Vitali; Cristina Silvano; Bruno Guindani; Danilo Ardagna; Andrea Rosario Beccari; Domenico Bonanni; Carmine Talarico; Filippo Lunghini; Jan Martinovic; et al. (CF, 2023)

Domain-Specific Energy Modeling for Drug Discovery and Magnetohydrodynamics Applications. - Lorenzo Carpentieri; Marco D'Antonio; Kaijie Fan; Luigi Crisci; Biagio Cosenza; Federico Ficarelli; Daniele Cesarini; Gianmarco Accordi; Davide Gadioli; Gianluca Palermo; Peter Thoman; Philip Salzmann; et al. (SC Workshops, 2023)

Improving computation efficiency using input and architecture features for a virtual screening application. - Gianmarco Accordi; Emanuele Vitali; Davide Gadioli; Luigi Crisci; Biagio Cosenza; Mauro Bisson; Massimiliano Fatica; Andrea Beccari; Gianluca Palermo (CoRR, 2023)

EXSCALATE: An Extreme-Scale Virtual Screening Platform for Drug Discovery Targeting Polypharmacology to Fight SARS-CoV-2. - Davide Gadioli; Emanuele Vitali; Federico Ficarelli; Chiara Latini; Candida Manelfi; Carmine Talarico; Cristina Silvano; Carlo Cavazzoni; Gianluca Palermo; Andrea Rosario Beccari (IEEE Trans. Emerg. Top. Comput., 2023)

SiteMap pockets for the PDBbind dataset. - Gianluca Palermo; Giovanni Bocchi; Carmine Talarico; Davide Gadioli; Alessandro Pedretti (Zenodo, 2023)

LIGATE - LIgand Generator and portable drug discovery platform AT Exascale. - Gianluca Palermo; Gianmarco Accordi; Davide Gadioli; Yuedong Zhang; Emanuele Vitali; Bruno Guindani; Danilo Ardagna; Cristina Silvano; Andrea Rosario Beccari; Domenico Bonanni; Carmine Talarico; Filippo Lunghini; et al. (CF (Companion), 2024)

ZSMILES: An Approach for Efficient SMILES Storage for Random Access in Virtual Screening. - Gianmarco Accordi; Davide Gadioli; Giorgio Seguini; Andrea Rosario Beccari; Gianluca Palermo (IPDPS (Workshops), 2024)

Unlocking performance portability on LUMI-G supercomputer: A virtual screening case study. - Gianmarco Accordi; Davide Gadioli; Gianluca Palermo; Luigi Crisci; Lorenzo Carpentieri; Biagio Cosenza; Andrea Rosario Beccari (IWOCL, 2024)

A geometric XAI approach to protein pocket detection. - Giovanni Bocchi; Patrizio Frosini; Alessandra Micheletti; Alessandro Pedretti; Gianluca Palermo; Davide Gadioli; Carmen Gratteri; Filippo Lunghini; Andrea Rosario Beccari; Anna Fava; Carmine Talarico (xAI (Late-breaking Work, Demos, Doctoral Consortium), 2024)

Enabling performance portability on the LiGen drug discovery pipeline. - Luigi Crisci; Lorenzo Carpentieri; Biagio Cosenza; Gianmarco Accordi; Davide Gadioli; Emanuele Vitali; Gianluca Palermo; Andrea Rosario Beccari (Future Gener. Comput. Syst., 2024)

GPU-optimized approaches to molecular docking-based virtual screening in drug discovery: A comparative analysis. - Emanuele Vitali; Federico Ficarelli; Mauro Bisson; Davide Gadioli; Gianmarco Accordi; Massimiliano Fatica; Andrea Rosario Beccari; Gianluca Palermo (J. Parallel Distributed Comput., 2024)

Out of kernel tuning and optimizations for portable large-scale docking experiments on GPUs. - Gianmarco Accordi; Davide Gadioli; Emanuele Vitali; Luigi Crisci; Biagio Cosenza; Andrea Beccari; Gianluca Palermo (J. Supercomput., 2024)

Harnessing quality-throughput trade-off in scoring functions for extreme-scale virtual screening campaigns. - Yuedong Zhang; Gianmarco Accordi; Davide Gadioli; Gianluca Palermo (Future Gener. Comput. Syst., 2025)

Efficient parameter tuning for a structure-based virtual screening HPC application. - Bruno Guindani; Davide Gadioli; Roberto Rocco; Danilo Ardagna; Gianluca Palermo (J. Parallel Distributed Comput., 2025)