Publications

Palermo, G., Accordi, G., Gadioli, D., Zhang, Y., Vitali, E., Guindani, B., Ardagna, D., Silvano, C., Beccari, A. R., Bonanni, D., Talarico, C., Lughini, F., Biswas, A. D., Martinovic, J., Golasowski, M., Silva, P., Bohm, A., Beranek, J., Krenek, J., Jansik, B., Thoman, P., Salzmann, P., Fahringer, T., Schwede, T., Alexander, L. T., Tauriello, G., Durairaj, J., Cosenza, B., Crisci, L., Emerson, A., Ficarelli, F., Lindahl, E., Wingbermuhle, S., Gregori, D., Coletti, S., Sana, E., Gschwandtner, P. (2024). LIGATE - LIgand Generator and portable drug discovery platform AT Exascale. In CF ‘24.
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Accordi, Gianmarco, Gadioli, Davide, Palermo, Gianluca, Crisci, Luigi, Carpentieri, Lorenzo, Cosenza, Biagio, Beccari, Andrea R. (2024). Unlocking performance portability on LUMI-G supercomputer: A virtual screening case study. In IWOCL ‘24.
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Emanuele Vitali, Federico Ficarelli, Mauro Bisson, Davide Gadioli, Gianmarco Accordi, Massimiliano Fatica, Ea R. Beccari, Gianluca Palermo (2024). GPU-optimized approaches to molecular docking-based virtual screening in drug discovery: A comparative analysis. In JPDC.
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Accordi, Gianmarco, Gadioli, Davide, Vitali, Emanele, Crisci, Luigi, Cosenza, Biagio, Beccari, Andrea, Palermo, Gianluca (2024). Out of kernel tuning and optimizations for portable large-scale docking experiments on GPUs. In JoS.
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Carpentieri, Lorenzo, D'Antonio, Marco, Fan, Kaijie, Crisci, Luigi, Cosenza, Biagio, Ficarelli, Federico, Cesarini, Daniele, Accordi, Gianmarco, Gadioli, Davide, Palermo, Gianluca, Thoman, Peter, Salzmann, Philip, Gschwandtner, Philipp, Wippler, Markus, Marchetti, Filippo, Gregori, Daniele, Beccari, Andrea Rosario (2023). Domain-Specific Energy Modeling for Drug Discovery and Magnetohydrodynamics Applications. In SC ‘24.
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