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Stefano de Gironcoli

centre national de la recherche scientifique (cnrs)

55H指数
252论文数
5.6W被引数
收录论文 85
发表时间
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An Accurate Alternative to Hybrid Functionals for Germanium: DFT plus α
errJOURNAL OF PHYSICAL CHEMISTRY C
IF3.2
err2026-01-01
err0
PREAI
errAbdurrazaq, Abdulgaffar; Lot, Ruggero; Jay, Antoine; Herrero-Saboya, Gabriela; Richard, Nicolas; Martin-Samos, Layla; Hemeryck, Anne; De Gironcoli, Stefano
err分享
err收藏
Convergence of Body-Orders in Linear Atomic Cluster Expansions线性原子簇展开中的体阶收敛
errThe Journal of Physical Chemistry A
IF0
err2025-07-28
err0
errOAAI
errApolinario Miguel Tan; Franco Pellegrini; Stefano de Gironcoli
err分享
err收藏
Tailored plasmon polariton landscape in graphene/boron nitride patterned heterostructures
errNPJ 2D MATERIALS AND APPLICATIONS
IF8.8
err2024-05-24
err1
errOAAI
errGolenic, Neven; de Gironcoli, Stefano; Despoja, Vito
err分享
err收藏
Growth and Redox Properties of Boron on Al(111): Competing Affinities in the Case of Honeycomb AlB2
errACS NANO
IF16
err2024-05-10
err0
PREAI
errBiasin, Pietro; Safari, Mandana; Ghidorsi, Elena; Baronio, Stefania; Scardamaglia, Mattia; Preobrajenski, Alexei B.; Vinogradov, Nikolay A.; Sala, Alessandro; Cepek, Cinzia; de Gironcoli, Stefano; Baroni, Stefano; Vesselli, Erik
err分享
err收藏
Optically driven plasmons in graphene/hBN van der Waals heterostructures: simulating s-SNOM measurements
errNANOPHOTONICS
IF6.6
err2024-04-15
err1
errOAAI
errGolenic, Neven; de Gironcoli, Stefano; Despoja, Vito
err分享
err收藏
Incorporating long-range electrostatics in neural network potentials via variational charge equilibration from shortsighted ingredients通过短视成分的变化电荷平衡将长距离静电纳入神经网络电位
errNPJ COMPUTATIONAL MATERIALS
IF11.9
err2024-03-04
err3
errOAAI
errShaidu, Yusuf; Pellegrini, Franco; Kucukbenli, Emine; Lot, Ruggero; de Gironcoli, Stefano
err分享
err收藏
Divide-and-conquer potentials enable scalable and accurate predictions of forces and energies in atomistic systems
errDIGITAL DISCOVERY
IF5.6
err2024-01-01
err3
errOAAI
errZeni, Claudio; Anelli, Andrea; Glielmo, Aldo; de Gironcoli, Stefano; Rossi, Kevin
err分享
err收藏
From borophene polymorphs towards a single honeycomb borophane phase: reduction of hexagonal boron layers on Al(111)
errNANOSCALE
IF5.1
err2023-01-01
err2
PREAI
errBiasin, Pietro; Safari, Mandana; Ghidorsi, Elena; Baronio, Stefania; Scardamaglia, Mattia; Preobrajenski, Alexei; de Gironcoli, Stefano; Baroni, Stefano; Vesselli, Erik
err分享
err收藏
Growing borophene on metal substrates: A theoretical study of the role of oxygen on Al(111)
errPHYSICAL REVIEW MATERIALS
IF3.4
err2022-11-29
err5
errOAAI
errSafari, Mandana; Vesselli, Erik; de Gironcoli, Stefano; Baroni, Stefano
err分享
err收藏
Activation-Relaxation Technique: An efficient way to find minima and saddle points of potential energy surfaces激活松弛技术: 找到势能表面的最小值和鞍点的有效方法
errCOMPUTATIONAL MATERIALS SCIENCE
IF3.3
err2022-06-01
err8
errOAAI
errJay, Antoine; Gunde, Miha; Salles, Nicolas; Poberznik, Matic; Martin-Samos, Layla; Richard, Nicolas; de Gironcoli, Stefano; Mousseau, Normand; Hemeryck, Anne
err分享
err收藏
Data-driven simulation and characterisation of gold nanoparticle melting
errNATURE COMMUNICATIONS
IF15.7
err2021-10-18
err43
errOAAI
errZeni, ClaudioW; Rossi, Kevin; Pavloudis, Theodore; Kioseoglou, Joseph; de Gironcoli, Stefano; Palmer, Richard E.; Baletto, Francesca
err分享
err收藏
Compact atomic descriptors enable accurate predictions via linear models
errJOURNAL OF CHEMICAL PHYSICS
IF3.1
err2021-06-11
err20
errOAAI
errZeni, Claudio; Rossi, Kevin; Glielmo, Aldo; de Gironcoli, Stefano
err分享
err收藏
A systematic approach to generating accurate neural network potentials: the case of carbon
errNPJ COMPUTATIONAL MATERIALS
IF11.9
err2021-04-14
err32
errOAAI
errShaidu, Yusuf; Kucukbenli, Emine; Lot, Ruggero; Pellegrini, Franco; Kaxiras, Efthimios; de Gironcoli, Stefano
err分享
err收藏
Finding Reaction Pathways and Transition States: r-ARTn and d-ARTn as an Efficient and Versatile Alternative to String Approaches
errJOURNAL OF CHEMICAL THEORY AND COMPUTATION
IF5.5
err2020-08-14
err28
errOAAI
errJay, Antoine; Huet, Christophe; Salles, Nicolas; Gunde, Miha; Martin-Samos, Layla; Richard, Nicolas; Landa, Georges; Goiffon, Vincent; De Gironcoli, Stefano; Hemeryck, Anne; Mousseau, Normand
err分享
err收藏
The CECAM electronic structure library and the modular software development paradigmCECAM电子结构库与模块化软件开发范式
errJOURNAL OF CHEMICAL PHYSICS
IF3.1
err2020-07-13
err23
errOAAI
errOliveira, Micael J. T.; Papior, Nick; Pouillon, Yann; Blum, Volker; Artacho, Emilio; Caliste, Damien; Corsetti, Fabiano; de Gironcoli, Stefano; Elena, Alin M.; Garcia, Alberto; Garcia-Suarez, Victor M.; Genovese, Luigi; Huhn, William P.; Huhs, Georg; Kokott, Sebastian; Kucukbenli, Emine; Larsen, Ask H.; Lazzaro, Alfio; Lebedeva, Irina, V; Li, Yingzhou; Lopez-Duran, David; Lopez-Tarifa, Pablo; Lueders, Martin; Marques, Miguel A. L.; Minar, Jan; Mohr, Stephan; Mostofi, Arash A.; O'Cais, Alan; Payne, Mike C.; Ruh, Thomas; Smith, Daniel G. A.; Soler, Jose M.; Strubbe, David A.; Tancogne-Dejean, Nicolas; Tildesley, Dominic; Torrent, Marc; Yu, Victor Wen-zhe
err分享
err收藏
Collective dipole effects in ionic transport under electric fields电场作用下离子输运中的集体偶极效应
errNATURE COMMUNICATIONS
IF15.7
err2020-07-03
err8
errOAAI
errSalles, N.; Martin-Samos, L.; de Gironcoli, S.; Giacomazzi, L.; Valant, M.; Hemeryck, A.; Blaise, P.; Sklenard, B.; Richard, N.
err分享
err收藏
Quantum ESPRESSO toward the exascale迈向exascale的量子浓缩咖啡
errJOURNAL OF CHEMICAL PHYSICS
IF3.1
err2020-04-17
err1.1K
errOAAI
errGiannozzi, Paolo; Baseggio, Oscar; Bonfa, Pietro; Brunato, Davide; Car, Roberto; Carnimeo, Ivan; Cavazzoni, Carlo; de Gironcoli, Stefano; Delugas, Pietro; Ruffino, Fabrizio Ferrari; Ferretti, Andrea; Marzari, Nicola; Timrov, Iurii; Urru, Andrea; Baroni, Stefano
err分享
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Hubbard-corrected density functional perturbation theory with ultrasoft pseudopotentials
errPHYSICAL REVIEW B
IF3.7
err2020-02-19
err53
errOAAI
errFloris, A.; Timrov, I; Himmetoglu, B.; Marzari, N.; de Gironcoli, S.; Cococcioni, M.
err分享
err收藏
First-principles characterization of Mg low-index surfaces: Structure, reconstructions, and surface core-level shifts
errPHYSICAL REVIEW B
IF3.7
err2019-08-02
err4
PREAI
errGunde, Miha; Martin-Samos, L.; de Gironcoli, Stefano; Fanetti, Mattia; Orlov, Dmytro; Valant, Matjaz
err分享
err收藏
v-P2O5 micro-clustering in P-doped silica studied by a first-principles Raman investigation通过第一性原理拉曼研究了P掺杂二氧化硅中的v-P2O5微簇
errSCIENTIFIC REPORTS
IF3.9
err2019-05-09
err8
errOAAI
errGiacomazzi, Luigi; Martin-Samos, L.; Alessi, A.; Richard, N.; Boukenter, A.; Ouerdane, Y.; Girard, S.; Valant, M.; De Gironcoli, S.
err分享
err收藏

研究方向

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合作学者
合作期刊
M
Matthias Scheffler
H 指数: 133 · 论文数: 1.0K
R
Roberto Car
H 指数: 108 · 论文数: 589
E
Efthimios Kaxiras
H 指数: 106 · 论文数: 934
N
Nicola Marzari
H 指数: 87 · 论文数: 706
王
王云 (Yun Wang)
H 指数: 87 · 论文数: 1.2K
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