163 citations · 786 across the 15 of their papers we have counts for
15 papers
Giant thermoelectric figure of merit in multivalley high-complexity-factor LaSO
Roberta Farris, Francesco Ricci, Giulio Casu +4
We report a giant thermoelectric figure of merit (up to 6 at 1100 K) in -doped lanthanum oxysulphate LaSO. Thermoelectric coefficients are computed from ab initio bands wit…
Density of States Prediction for Materials Discovery via Contrastive Learning from Probabilistic Embeddings
Shufeng Kong, Francesco Ricci, Dan Guevarra +3
Machine learning for materials discovery has largely focused on predicting an individual scalar rather than multiple related properties, where spectral properties are an important…
A chemical nano-reactor based on a levitated nanoparticle in vacuum
Francesco Ricci, Marc T. Cuairan, Andreas W. Schell +4
A single levitated nanoparticle is used as a nano-reactor for studying surface chemistry at the nanoscale. Optical levitation under controlled pressure, surrounding gas composition…
OPTIMADE, an API for exchanging materials data
Casper W. Andersen, Rickard Armiento, Evgeny Blokhin +53
The Open Databases Integration for Materials Design (OPTIMADE) consortium has designed a universal application programming interface (API) to make materials databases accessible an…
A three-order-parameter bistable magnetoelectric multiferroic metal
Andrea Urru, Francesco Ricci, Alessio Filippetti +2
Using first-principles calculations we predict that the layered-perovskite metal BiMnO is a ferromagnet, ferroelectric, and ferrotoroid which may realize the long so…
Structure motif centric learning framework for inorganic crystalline systems
Huta R. Banjade, Sandro Hauri, Shanshan Zhang +4
Incorporation of physical principles in a network-based machine learning (ML) architecture is a fundamental step toward the continued development of artificial intelligence for mat…
Computationally-driven, high throughput identification of CaTe and LiSb as promising candidates for high mobility -type transparent conducting materials
Viet-Anh Ha, Guodong Yu, Francesco Ricci +5
High-performance -type transparent conducting materials (TCMs) must exhibit a rare combination of properties including high mobility, transparency and -type dopability. The d…
Searching for Materials with High Refractive Index and Wide Band Gap: A First-Principles High-Throughput Study
Francesco Naccarato, Francesco Ricci, Jin Suntivich +3
Materials combining both a high refractive index and a wide band gap are of great interest for optoelectronic and sensor applications. However, these two properties are typically d…
High-Throughput Identification of Electrides from all Known Inorganic Materials
Lee A. Burton, Francesco Ricci, Gian-Marco Rignanese +1
In this paper, we present the results of a large-scale, high-throughput computational search for electrides among all known inorganic materials. Analyzing a database of density fun…
Two-structure thermodynamics for the TIP4P/2005 model of water covering supercooled and deeply stretched regions
John W. Biddle, Rakesh S. Singh, Evan M. Sparano +7
One of the most promising frameworks for understanding the anomalies of cold and supercooled water postulates the existence of two competing, interconvertible local structures. If…
Prediction of a native ferroelectric metal
Alessio Filippetti, Vincenzo Fiorentini, Francesco Ricci +2
The possibility that metals may support ferroelectricity is an open issue. Anderson and Blount showed that certain martensitic transitions involve inversion symmetry breaking and t…
Low In solubility and band offsets in the small- -GaO/(GaIn)O system
Maria Barbara Maccioni, Francesco Ricci, Vincenzo Fiorentini
Based on first-principles calculations, we show that the maximum reachable concentration in the (GaIn)O alloy in the low- regime (i.e. In solubility in $…
Multi-gap absorption in CaCuTiO and the predictivity of ab initio methods
Francesco Ricci, Paola Alippi, Alessio Filippetti +1
We report the electronic properties of the quadruple perovskite CaCuTiO as obtained via several density-functional based methods, and propose a new interpretatio…
Multiferroicity in V-doped PbTiO
Francesco Ricci, Vincenzo Fiorentini
We report \emph{ab initio} predictions on the proper multiferroic (ferromagnetic, insulating and ferroelectric) character of PbTiO doped with vanadium. V impurities coupled f…
Giant electroresistance and tunable magnetoelectricity in a multiferroic junction
Francesco Ricci, Alessio Filippetti, Vincenzo Fiorentini
First-principles density functional calculations show that the multiferroic junction with asymmetric (RuO/PbO and T…