156 citations · 1.1k across the 37 of their papers we have counts for
37 papers
Heat transport in superionic materials via machine-learned molecular dynamics
Wenjiang Zhou, Benrui Tang, Zheyong Fan +3
Precise modeling and understanding of heat transport in the superionic phase are of great interest. Although simulations combining Green-Kubo (GK) molecular dynamics with machine-l…
High-dimensional quantum key distribution with resource-efficient detection
Maciej Ogrodnik, Adam Widomski, Dagmar Bruß +7
While quantum key distribution (QKD) based on two-dimensional (qubit) encoding is a mature, field-tested technology, its performance is lacking for many cryptographic applications.…
Quantum Key Distribution with Basis-Dependent Detection Probability
Federico Grasselli, Giovanni Chesi, Nathan Walk +7
Quantum Key Distribution (QKD) is a promising technology for secure communication. Nevertheless, QKD is still treated with caution in certain contexts due to potential gaps between…
Quantum-private distributed sensing
Joseph Ho, Jonathan W. Webb, Russell M. J. Brooks +3
Quantum networks can enhance both security and privacy conditions for multi-user communication, delegated computation, and distributed sensing tasks. An example quantum protocol is…
Thermal transport of glasses via machine learning driven simulations
Paolo Pegolo, Federico Grasselli
Accessing the thermal transport properties of glasses is a major issue for the design of production strategies of glass industry, as well as for the plethora of applications and de…
Experimental anonymous quantum conferencing
Jonathan W. Webb, Joseph Ho, Federico Grasselli +4
Anonymous quantum conference key agreement (AQCKA) allows a group of users within a network to establish a shared cryptographic key without revealing their participation. Although…
Robustness of Local Predictions in Atomistic Machine Learning Models
Sanggyu Chong, Federico Grasselli, Chiheb Ben Mahmoud +3
Machine learning (ML) models for molecules and materials commonly rely on a decomposition of the global target quantity into local, atom-centered contributions. This approach is co…
Self-interaction and transport of solvated electrons in molten salts
Paolo Pegolo, Stefano Baroni, Federico Grasselli
The dynamics of (few) electrons dissolved in an ionic fluid--as when a small amount of metal is added to a solution while upholding its electronic insulation--manifests interesting…
Effect of a Temperature Gradient on the Screening Properties of Ionic Fluids
Andrea Grisafi, Federico Grasselli
The electrostatic screening properties of ionic fluids are of paramount importance in countless physical processes. Yet, the behavior of ionic conductors out of thermal equilibrium…
Satellite-Based Quantum Key Distribution in the Presence of Bypass Channels
Masoud Ghalaii, Sima Bahrani, Carlo Liorni +9
The security of prepare-and-measure satellite-based quantum key distribution (QKD), under restricted eavesdropping scenarios, is addressed. We particularly consider cases where the…
Overcoming fundamental bounds on quantum conference key agreement
Giacomo Carrara, Gláucia Murta, Federico Grasselli
Twin-Field Quantum Key Distribution (TF-QKD) enables two distant parties to establish a shared secret key, by interfering weak coherent pulses (WCPs) in an intermediate measuring s…
Boosting device-independent cryptography with tripartite nonlocality
Federico Grasselli, Gláucia Murta, Hermann Kampermann +1
Device-independent (DI) protocols, such as DI conference key agreement (DICKA) and DI randomness expansion (DIRE), certify private randomness by observing nonlocal correlations whe…
Conference key agreement in a quantum network
Alexander Pickston, Joseph Ho, Andrés Ulibarrena +6
Quantum conference key agreement (QCKA) allows multiple users to establish a secure key from a shared multi-partite entangled state. In a quantum network, this protocol can be effi…
Topology, oxidation states, and charge transport in ionic conductors
Paolo Pegolo, Stefano Baroni, Federico Grasselli
Recent theoretical advances, based on a combination of concepts from Thouless' topological theory of adiabatic charge transport and a newly introduced gauge-invariance principle fo…
Predicting hot-electron free energies from ground-state data
Chiheb Ben Mahmoud, Federico Grasselli, Michele Ceriotti
Machine-learning potentials are usually trained on the ground-state, Born-Oppenheimer energy surface, which depends exclusively on the atomic positions and not on the simulation te…
Investigating finite-size effects in molecular dynamics simulations of ion diffusion, heat transport, and thermal motion in superionic materials
Federico Grasselli
The effects of the finite size of the simulation box in equilibrium molecular dynamics simulations are investigated for prototypical superionic conductors of different types, namel…
Temperature- and vacancy-concentration-dependence of heat transport in LiClO from multi-method numerical simulations
Paolo Pegolo, Stefano Baroni, Federico Grasselli
Despite governing heat management in any realistic device, the microscopic mechanisms of heat transport in all-solid-state electrolytes are poorly known: existing calculations, all…
Secure Anonymous Conferencing in Quantum Networks
Federico Grasselli, Gláucia Murta, Jarn de Jong +4
Users of quantum networks can securely communicate via so-called (quantum) conference key agreement --making their identities publicly known. In certain circumstances, however, com…
Invariance principles in the theory and computation of transport coefficients
Federico Grasselli, Stefano Baroni
In this work we elaborate on two recently discovered invariance principles, according to which transport coefficients are, to a large extent, independent of the microscopic definit…
Uncertainty estimation for molecular dynamics and sampling
Giulio Imbalzano, Yongbin Zhuang, Venkat Kapil +4
Machine learning models have emerged as a very effective strategy to sidestep time-consuming electronic-structure calculations, enabling accurate simulations of greater size, time…
Oxidation states, Thouless' pumps, and non-trivial ionic transport in non-stoichiometric electrolytes
Paolo Pegolo, Federico Grasselli, Stefano Baroni
Thouless' quantization of adiabatic particle transport permits to associate an integer topological charge with each atom of an electronically gapped material. If these charges are…
Thermal Evolution of Uranus with a Frozen Interior
Lars Stixrude, Stefano Baroni, Federico Grasselli
The intrinsic luminosity of Uranus is a factor of 10 less than that of Neptune, an observation that standard giant planetary evolution models, which assume negligible viscosity, fa…
Entropy bounds for multiparty device-independent cryptography
Federico Grasselli, Gláucia Murta, Hermann Kampermann +1
Multiparty quantum cryptography based on distributed entanglement will find its natural application in the upcoming quantum networks. The security of many multipartite device-indep…
Heat and charge transport in HO at ice-giant conditions from ab initio molecular dynamics simulations
Federico Grasselli, Lars Stixrude, Stefano Baroni
The impact of the inner structure and thermal history of planets on their observable features, such as luminosity or magnetic field, crucially depends on the poorly known heat and…