Stefano de Gironcoli

Scuola Internazionale Superiore di Studi Avanzati — Italy

Physics and Astronomy · Physical Sciences

55h-index56.0kcitations252works4.12yr avg
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Research Topics

Advanced Chemical Physics Studies(86), High-pressure geophysics and materials(39), Catalytic Processes in Materials Science(38), nanoparticles nucleation surface interactions(23), Machine Learning in Materials Science(22)

Publications252 total

An Accurate Alternative to Hybrid Functionals for Germanium: DFT+α
The Journal of Physical Chemistry C·2026Open Access
1D transition metal oxide chains as a challenging model for <i>ab initio</i> calculations
The Journal of Chemical Physics·2025Open Access
Convergence of Body-Orders in Linear Atomic Cluster Expansions
The Journal of Physical Chemistry A·2025· 1 citedOpen Access
Discovery of novel silicon allotropes with optimized band gaps to enhance solar cell efficiency through evolutionary algorithms and machine learning
Computational Materials Science·2024· 2 cited
Discovery of Novel Silicon Allotropes with Optimized Band Gaps to Enhance Solar Cell Efficiency through Evolutionary Algorithms and Machine Learning
arXiv (Cornell University)·2024· 1 citedOpen Access
Tailored plasmon polariton landscape in graphene/boron nitride patterned heterostructures
npj 2D Materials and Applications·2024· 3 citedOpen Access
LATTE: an atomic environment descriptor based on Cartesian tensor contractions
arXiv (Cornell University)·2024Open Access
Growth and Redox Properties of Boron on Al(111): Competing Affinities in the Case of Honeycomb AlB<sub>2</sub>
ACS Nano·2024· 2 citedOpen Access
Optically driven plasmons in graphene/hBN van der Waals heterostructures: simulating s-SNOM measurements
Nanophotonics·2024· 2 citedOpen Access
Incorporating long-range electrostatics in neural network potentials via variational charge equilibration from shortsighted ingredients
npj Computational Materials·2024· 30 citedOpen Access
Tailored Plasmon Polariton Landscape in Graphene/Boron Nitride Patterned Heterostructures
Research Square (Research Square)·2023Open Access
Divide-and-conquer potentials enable scalable and accurate predictions of forces and energies in atomistic systems
Digital Discovery·2023· 6 citedOpen Access
Divide-and-conquer potentials enable scalable and accurate predictions of forces and energies in atomistic systems
Zenodo (CERN European Organization for Nuclear Research)·2023Open Access
Mathematical Analysis and Numerical Approximations of Density Functional Theory Models for Metallic Systems
Multiscale Modeling and Simulation·2023· 2 cited
Carbon configurations dataset generated in "A systematic approach to generating accurate neural network potentials: the case of carbon"
Zenodo (CERN European Organization for Nuclear Research)·2023Open Access
Carbon configurations dataset generated in "A systematic approach to generating accurate neural network potentials: the case of carbon"
2023Open Access
From borophene polymorphs towards a single honeycomb borophane phase: reduction of hexagonal boron layers on Al(111)
Nanoscale·2023· 4 cited
Growing borophene on metal substrates: A theoretical study of the role of oxygen on Al(111)
Physical Review Materials·2022· 1 citedOpen Access
Activation–Relaxation Technique: An efficient way to find minima and saddle points of potential energy surfaces
Computational Materials Science·2022· 19 citedOpen Access
Mathematical Analysis and Numerical Approximations of Density Functional Theory Models for Metallic Systems
arXiv (Cornell University)·2022· 1 citedOpen Access
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Frequent Co-authors

Stefano Baroni(27), Paolo Giannozzi(9), Matteo Cococcioni(8), Stefano Fabris(8), Renata M. Wentzcovitch(8), Andrea Dal Corso(7), Guido Fratesi(5), Anton Kokalj(5), Nicola Marzari(5), Carlo Sbraccia(4), Gianpaolo Vicario(4), Gabriele Balducci(4), Bijaya B. Karki(4), Nicola Bonini(3), Francesco Mauri(3), Alfredo Pasquarello(3), Sandro Scandolo(3), Andrea Floris(3), Matteo Calandra(2), Roberto Car(2)