MELANI, GIACOMO

MELANI, GIACOMO  

Istituto di Chimica dei Composti Organo Metallici - ICCOM - Sede Secondaria Pisa  

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Titolo Data di pubblicazione Autore(i) File
Accurate Simulations of Water and Aqueous Solutions through Fine-Tuned Dispersion-Corrected Density Functional Theory and Machine-Learning Interatomic Potentials 1-gen-2025 Ferretti, Alfonso; Melani, Giacomo; Benedetti, Luca; Sorodoc, Robert A.; Fortunelli, Alessandro; Brancato, Giuseppe
Extrapolation Techniques in Database Construction for Machine-Learning Potentials: Achieving Subchemical Accuracy in Sampling Conformal Funnels in Catalytic Processes 1-gen-2025 Roongcharoen, Thantip; Conter, Giorgio; Melani, Giacomo; Sementa, Luca; Fortunelli, Alessandro
Machine-Learning-Accelerated Conformal Sampling of Methanol Catalytic Conversion on Bimetallic Systems 1-gen-2025 Melani, Giacomo; Roongcharoen, Thantip; Conter, Giorgio; Sementa, Luca; Fortunelli, Alessandro
Effects of Solvation and Temperature on the Energetics of BiVO4 Surfaces with Varying Composition for Solar Water Splitting 1-gen-2024 Melani, Giacomo; Wang, Wennie; Gygi, Francois; Choi, Kyoung-Shin; Galli, Giulia
Machine-Learning-Accelerated DFT Conformal Sampling of Catalytic Processes 1-gen-2024 Roongcharoen, Thantip; Conter, Giorgio; Sementa, Luca; Melani, Giacomo; Fortunelli, Alessandro