Davide Mandelli

According to our database, Davide Mandelli authored at least 5 papers between 2023 and 2026.

Collaborative distances:

• Dijkstra number of four.
• Erdős number of four.

2026

MiMiCPy-FM: A User-Friendly Force Matching Tool for Extending the Time Scale of QM/MM MD MiMiC Simulations.

Sachin Shivakumar, Giorgia Frumenzio, Francesco Musiani, Fabio Affinito, Emiliano Ippoliti, Bharath Raghavan, Giulia Rossetti, Davide Mandelli, Paolo Carloni

J. Chem. Inf. Model., 2026

2024

3D DFT by block tensor-matrix multiplication via a modified Cannon's algorithm: Implementation and scaling on distributed-memory clusters with fat tree networks.

Nitin Malapally, Viacheslav Bolnykh, Estela Suarez, Paolo Carloni, Thomas Lippert, Davide Mandelli

J. Parallel Distributed Comput., 2024

2023

Drug Design in the Exascale Era: A Perspective from Massively Parallel QM/MM Simulations.

Bharath Raghavan, Mirko Paulikat, Katya Ahmad, Lara Callea, Andrea Rizzi, Emiliano Ippoliti, Davide Mandelli, Laura Bonati, Marco de Vivo, Paolo Carloni

J. Chem. Inf. Model., June, 2023

MiMiCPy: An Efficient Toolkit for MiMiC-Based QM/MM Simulations.

Bharath Raghavan, Florian K. Schackert, Andrea Levy, Sophia K. Johnson, Emiliano Ippoliti, Davide Mandelli, Jógvan Magnus Haugaard Olsen, Ursula Rothlisberger, Paolo Carloni

J. Chem. Inf. Model., March, 2023

Scalability of 3D-DFT by block tensor-matrix multiplication on the JUWELS Cluster.

Nitin Malapally, Viacheslav Bolnykh, Estela Suarez, Paolo Carloni, Thomas Lippert, Davide Mandelli

CoRR, 2023