100 citations · 417 across the 18 of their papers we have counts for
18 papers
GNN for Deep Full Event Interpretation and hierarchical reconstruction of heavy-hadron decays in proton-proton collisions
Julián García Pardiñas, Marta Calvi, Jonas Eschle +4
The LHCb experiment at the Large Hadron Collider (LHC) is designed to perform high-precision measurements of heavy-hadron decays, which requires the collection of large data sample…
Wavefunction-based electrostatic-embedding QM/MM using CFOUR through MiMiC
Till Kirsch, Jógvan Magnus Haugaard Olsen, Viacheslav Bolnykh +5
We present an interface of the wavefunction-based quantum-chemical software CFOUR to the multiscale modeling framework MiMiC. Electrostatic embedding of the quantummechanical (QM)…
RooHammerModel: interfacing the HAMMER software tool with the HistFactory package
J. García Pardiñas, S. Meloni, L. Grillo +3
Recent -physics results have sparkled great interest in the search for beyond-the-Standard-Model (BSM) physics in transitions. The need to analyse in a consis…
First branching fraction measurement of the suppressed decay
LHCb collaboration, R. Aaij, C. Abellán Beteta +963
The baryon is unstable and usually decays into charmless final states by the transition. It can, however, also disintegrate into a meson and a…
Hierarchical macro-nanoporous metals for leakage-free high-thermal conductivity shape-stabilized phase change materials
Yaroslav Grosu, Yanqi Zhao, Alberto Giacomello +6
Impregnation of Phase Change Materials (PCMs) into a porous medium is a promising way to stabilize their shape and improve thermal conductivity which are essential for thermal ener…
Study of the and states in decays
LHCb collaboration, R. Aaij, C. Abellán Beteta +956
The decays are studied using a data set corresponding to an integrated luminosity of 9fb collected with the LHCb detector in proton-proton co…
Search for violation and observation of violation in decays
LHCb collaboration, R. Aaij, C. Abellán Beteta +902
A search for violation in the decay is performed using LHCb data corresponding to an integrated luminosity of 6.6 collected in coll…
Activated wetting of nanostructured surfaces: reaction coordinates, finite size effects, and simulation pitfalls
Matteo Amabili, Simone Meloni, Alberto Giacomello +1
A liquid in contact with a textured surface can be found in two states, Wenzel and Cassie. In the Wenzel state the liquid completely wets the corrugations while in the Cassie state…
Collapse of superhydrophobicity on nanopillared surfaces
Matteo Amabili, Alberto Giacomello, Simone Meloni +1
The mechanism of the collapse of the superhydrophobic state is elucidated for submerged nanoscale textures forming a three-dimensional interconnected vapor domain. This key issue f…
Valence and conduction bands engineering in halide perovskites for solar cell applica- tions
Simone Meloni, Giulia Palermo, Negar Ashari Astani +3
We performed ab initio simulations aimed at identifying the atomistic and electronic structure origin of the high valence and conduction band, and band gap tunability of halide per…
Mechanism of the Cassie-Wenzel transition via the atomistic and continuum string methods
Alberto Giacomello, Simone Meloni, Marcus Mueller +1
The string method is a general and flexible strategy to compute the most probable transition path for an activated process (rare event). We apply here the atomistic string method i…
Relaxation of a steep density gradient in a simple fluid: comparison between atomistic and continuum modeling
Meisam Pourali, Simone Meloni, Francesco Magaletti +3
We compare dynamical nonequilibrium molecular dynamics and continuum simulations of the dynamics of relaxation of a fluid system characterized by a non uniform density profile. Res…
An observable for vacancy characterization and diffusion in crystals
Pierre-Antoine Geslin, Giovanni Ciccotti, Eric Vanden-Eijnden +1
To locate the position and characterize the dynamics of a vacancy in a crystal, we propose to represent it by the ground state density of a quantum probe quasi-particle for the Ham…
Combining rare events techniques: phase change in Si nanoparticles
Simone Meloni, Sergio Orlandini, Giovanni Ciccotti
We introduce a combined Restrained MD/Parallel Tempering approach to study the difference in free energy as a function of a set of collective variables between two states in presen…
Temperature Accelerated Monte Carlo (TAMC): a method for sampling the free energy surface of non-analytical collective variables
Giovanni Ciccotti, Simone Meloni
We introduce a new method to simulate the physics of rare events. The method, an extension of the Temperature Accelerated Molecular Dynamics, comes in use when the collective varia…
Hydrodynamics from dynamical non-equilibrium MD
Sergio Orlandini, Simone Meloni, Giovanni Ciccotti
We review a dynamical approach to non-equilibrium MD (D-NEMD). We show how, using a proper simulation setup, is possible to treat interesting cases in which the initial condition i…
Atomistic structure of amorphous silicon nitride from classical molecular dynamics simulations
Mariella Ippolito, Simone Meloni
By means of molecular dynamics simulations based on the Billeter et al. [S. R. Billeter, A. Curioni, D. Fischer, and W. Andreoni, Phys. Rev. B {\bf 73}, 155329] environment-depende…
Order-disorder phase change in embedded Si nano-particles
Sergio Orlandini, Simone Meloni, Luciano Colombo
We investigated the relative stability of the amorphous vs crystalline nanoparticles of size ranging between 0.8 and 1.8 nm. We found that, at variance from bulk systems, at low T…