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pro vyhledávání: '"Mennucci, A."'
Autor:
Kulkarni, Chawntell, Gestsson, Hallmann Óskar, Cupellini, Lorenzo, Mennucci, Benedetta, Olaya-Castro, Alexandra
Photosynthetic organisms rely on a network of light-harvesting protein-pigment complexes to efficiently absorb sunlight and transfer excitation energy to reaction center proteins for charge separation. In photosynthetic purple bacteria, these complex
Externí odkaz:
http://arxiv.org/abs/2407.12591
Autor:
Bondanza, Mattia, Nottoli, Tommaso, Nottoli, Michele, Cupellini, Lorenzo, Lipparini, Filippo, Mennucci, Benedetta
We present a new library designed to provide a simple and straightforward way to implement QM/AMOEBA and other polarizable QM/MM methods based on induced point dipoles. The library, herein referred to as OpenMMPol, is free and open-sourced and is eng
Externí odkaz:
http://arxiv.org/abs/2401.14691
Autor:
Cignoni, Edoardo, Suman, Divya, Nigam, Jigyasa, Cupellini, Lorenzo, Mennucci, Benedetta, Ceriotti, Michele
Data-driven techniques are increasingly used to replace electronic-structure calculations of matter. In this context, a relevant question is whether machine learning (ML) should be applied directly to predict the desired properties or be combined exp
Externí odkaz:
http://arxiv.org/abs/2311.00844
Publikováno v:
Journal of Crystal Growth, vol. 519, p. 69-76 (2019)
Pentacene is known to grow on isotropic silicon oxide surfaces in a substrate-induced phase with fiber textured crystallites. This growth study reports on the growth of pentacene crystallites on uniaxially oriented surfaces. Silica substrates have be
Externí odkaz:
http://arxiv.org/abs/2207.04849
Autor:
Edoardo Cignoni, Divya Suman, Jigyasa Nigam, Lorenzo Cupellini, Benedetta Mennucci, Michele Ceriotti
Publikováno v:
ACS Central Science, Vol 10, Iss 3, Pp 637-648 (2024)
Externí odkaz:
https://doaj.org/article/a564c7ec764d492c9466d597b41fb2d4
Publikováno v:
Nature Communications, Vol 15, Iss 1, Pp 1-10 (2024)
Abstract In plants, light-harvesting complexes serve as antennas to collect and transfer the absorbed energy to reaction centers, but also regulate energy transport by dissipating the excitation energy of chlorophylls. This process, known as nonphoto
Externí odkaz:
https://doaj.org/article/ae92fd901b8d4c97a75c3cc8db666f1d
Autor:
Salvadori, Giacomo, Mazzeo, Patrizia, Accomasso, Davide, Cupellini, Lorenzo, Mennucci, Benedetta
Publikováno v:
In Journal of Molecular Biology 1 March 2024 436(5)
Autor:
Persano, Luana, Szukalski, Adam, Gaio, Michele, Moffa, Maria, Salvadori, Giacomo, Sznitko, Lech, Camposeo, Andrea, Mysliwiec, Jaroslaw, Sapienza, Riccardo, Mennucci, Benedetta, Pisignano, Dario
Publikováno v:
Advanced Optical Materials, vol. 8, 2001039 (2020)
Lasers based on biological materials are attracting an increasing interest in view of their use in integrated and transient photonics. DNA as optical biopolymer in combination with highly-emissive dyes has been reported to have excellent potential in
Externí odkaz:
http://arxiv.org/abs/2012.03106
Akademický článek
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Autor:
Mennucci Andrea C. G.
Publikováno v:
Analysis and Geometry in Metric Spaces, Vol 11, Iss 1, Pp 65-222 (2023)
Given MM and NN Hausdorff topological spaces, we study topologies on the space C0(M;N){C}^{0}\left(M;\hspace{0.33em}N) of continuous maps f:M→Nf:M\to N. We review two classical topologies, the “strong” and the “weak” topology. We propose a
Externí odkaz:
https://doaj.org/article/5c327bff460a4a4fa9c93ee674bb7dd2