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Davide Mandelli
ORCID
Publication Activity (10 Years)
Years Active: 2023-2023
Publications (10 Years): 3
Top Topics
Drug Design
Intraoperative
Fine Grained
Massively Parallel
Top Venues
J. Chem. Inf. Model.
CoRR
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Publications
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Nitin Malapally
,
Viacheslav Bolnykh
,
Estela Suarez
,
Paolo Carloni
,
Thomas Lippert
,
Davide Mandelli
Scalability of 3D-DFT by block tensor-matrix multiplication on the JUWELS Cluster.
CoRR
(2023)
Bharath Raghavan
,
Mirko Paulikat
,
Katya Ahmad
,
Lara Callea
,
Andrea Rizzi
,
Emiliano Ippoliti
,
Davide Mandelli
,
Laura Bonati
,
Marco de Vivo
,
Paolo Carloni
Drug Design in the Exascale Era: A Perspective from Massively Parallel QM/MM Simulations.
J. Chem. Inf. Model.
63 (12) (2023)
Bharath Raghavan
,
Florian K. Schackert
,
Andrea Levy
,
Sophia K. Johnson
,
Emiliano Ippoliti
,
Davide Mandelli
,
Jógvan Magnus Haugaard Olsen
,
Ursula Rothlisberger
,
Paolo Carloni
MiMiCPy: An Efficient Toolkit for MiMiC-Based QM/MM Simulations.
J. Chem. Inf. Model.
63 (5) (2023)