Jacopo Baima

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Alessandro ErbaAssociate Professor, Theoretical Chemistry Group, Department of Chemistry, University of TorinoAdresse e-mail validée de unito.it
Silvia Maria CasassaUniversity of TurinAdresse e-mail validée de unito.it
Matteo CalandraUniversity of Trento, CNRS and Sorbonne UniversitéAdresse e-mail validée de unitn.it
Francesco MauriSapienza Università di RomaAdresse e-mail validée de uniroma1.it
Simone SalustroUniversità degli Studi di TorinoAdresse e-mail validée de unito.it
Lorenzo MaschioUniversità di TorinoAdresse e-mail validée de unito.it
Bartolomeo CivalleriUniversity of Torino - Department of ChemistryAdresse e-mail validée de unito.it
C* M* Zicovich*Professor of physics, Autonomous U. of Morelos StateAdresse e-mail validée de uaem.mx
Betül PamukCornell UniversityAdresse e-mail validée de cornell.edu
Marco De La PierreCurtin UniversityAdresse e-mail validée de curtin.edu.au
Clément FaugerasLaboratoire National des Champs Magnétique Intenses, CNRS, GrenobleAdresse e-mail validée de lncmi.cnrs.fr
Matteo FerrabonePost Doc, Università degli Studi di TorinoAdresse e-mail validée de unito.it
Maria HellgrenIMPMC, Sorbonne University, ParisAdresse e-mail validée de upmc.fr
Fabien PASCALEUniversité de Lorraine, CNRS - LEMTAAdresse e-mail validée de univ-lorraine.fr
Francesco Silvio GentilePostdoctoral Researcher in Theoretical Chemistry Università degli studi di Napoli Federico IIAdresse e-mail validée de unina.it
Nicholas HarrisonImperial College LondonAdresse e-mail validée de imperial.ac.uk
Mauro FerreroPost Doc, Università degli studi di TorinoAdresse e-mail validée de thalesaleniaspace.com
Klaus DollAdresse e-mail validée de theochem.uni-stuttgart.de
Yves NoëlInstitut des Sciences de la Terre de Paris - ISTeP ; Sorbonne UniversiteAdresse e-mail validée de sorbonne-universite.fr
Raffaella DemichelisCurtin UniversityAdresse e-mail validée de curtin.edu.au

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Jacopo Baima

Postdoctoral researcher, CEA Saclay, Paris

Adresse e-mail validée de insp.upmc.fr

DFT Computational materials science Theoretical condensed matter physics Computational spectroscopy 2D materials


Titre Trier par citations Trier par année Trier par titre	Citée par Citée par	Année
Quantum‐mechanical condensed matter simulations with CRYSTAL R Dovesi, A Erba, R Orlando, CM Zicovich‐Wilson, B Civalleri, L Maschio, ... Wiley Interdisciplinary Reviews: Computational Molecular Science 8 (4), e1360, 2018	1622*	2018
Large-scale condensed matter DFT simulations: performance and capabilities of the CRYSTAL code A Erba, J Baima, I Bush, R Orlando, R Dovesi Journal of chemical theory and computation 13 (10), 5019-5027, 2017	165	2017
The CRYSTAL code, 1976–2020 and beyond, a long story R Dovesi, F Pascale, B Civalleri, K Doll, NM Harrison, I Bush, P D’arco, ... The Journal of chemical physics 152 (20), 2020	151	2020
Beryllium oxide nanotubes and their connection to the flat monolayer J Baima, A Erba, M Rérat, R Orlando, R Dovesi The Journal of Physical Chemistry C 117 (24), 12864-12872, 2013	81	2013
Magnetic gap opening in rhombohedral-stacked multilayer graphene from first principles B Pamuk, J Baima, F Mauri, M Calandra Physical Review B 95 (7), 075422, 2017	78	2017
Critical Role of the Exchange Interaction for the Electronic Structure and Charge-Density-Wave Formation in M Hellgren, J Baima, R Bianco, M Calandra, F Mauri, L Wirtz Physical review letters 119 (17), 176401, 2017	77	2017
Flat electronic bands in long sequences of rhombohedral-stacked graphene H Henck, J Avila, ZB Aziza, D Pierucci, J Baima, B Pamuk, J Chaste, D Utt, ... Physical Review B 97 (24), 245421, 2018	64	2018
The vibration properties of the (n, 0) boron nitride nanotubes from ab initio quantum chemical simulations A Erba, M Ferrabone, J Baima, R Orlando, M Rérat, R Dovesi The Journal of Chemical Physics 138 (5), 2013	54	2013
Thermodynamics and phonon dispersion of pyrope and grossular silicate garnets from ab initio simulations J Baima, M Ferrabone, R Orlando, A Erba, R Dovesi Physics and Chemistry of Minerals 43 (2), 137-149, 2016	51	2016
Electron density analysis of large (molecular and periodic) systems: A parallel implementation S Casassa, A Erba, J Baima, R Orlando Journal of Computational Chemistry 36 (26), 1940-1946, 2015	44	2015
Efficient and transferable machine learning potentials for the simulation of crystal defects in bcc Fe and W AM Goryaeva, J Dérès, C Lapointe, P Grigorev, TD Swinburne, ... Physical Review Materials 5 (10), 103803, 2021	42	2021
Ab Initio Periodic Simulation of the Spectroscopic and Optical Properties of Novel Porous Graphene Phases M De La Pierre, P Karamanis, J Baima, R Orlando, C Pouchan, R Dovesi The Journal of Physical Chemistry C 117 (5), 2222-2229, 2013	39	2013
Softening the ultra-stiff: Controlled variation of Young’s modulus in single-crystal diamond by ion implantation A Battiato, M Lorusso, E Bernardi, F Picollo, F Bosia, D Ugues, A Zelferino, ... Acta Materialia 116, 95-103, 2016	34	2016
Raman spectroscopic features of the neutral vacancy in diamond from ab initio quantum-mechanical calculations J Baima, A Zelferino, P Olivero, A Erba, R Dovesi Physical Chemistry Chemical Physics 18 (3), 1961-1968, 2016	30	2016
The electronic states of the neutral vacancy in diamond: a quantum mechanical approach A Zelferino, S Salustro, J Baima, V Lacivita, R Orlando, R Dovesi Theoretical Chemistry Accounts 135, 1-11, 2016	29	2016
Gate-tunable magnetism and giant magnetoresistance in suspended rhombohedral-stacked few-layer graphene Y Lee, S Che, J Velasco Jr, X Gao, Y Shi, D Tran, J Baima, F Mauri, ... Nano Letters 22 (13), 5094-5099, 2022	18	2022
Direct piezoelectric tensor of 3D periodic systems through a coupled perturbed Hartree–Fock/Kohn–Sham method J Baima, A Erba, L Maschio, CM Zicovich-Wilson, R Dovesi, B Kirtman Zeitschrift für Physikalische Chemie 230 (5-7), 719-736, 2016	14	2016
Field-effect-driven half-metallic multilayer graphene J Baima, F Mauri, M Calandra Physical Review B 98 (7), 075418, 2018	13	2018
Gate tunable magnetism and giant magnetoresistance in ABC-stacked few-layer graphene Y Lee, S Che, J Velasco Jr, D Tran, J Baima, F Mauri, M Calandra, ... arXiv preprint arXiv:1911.04450, 2019	12	2019
Ab initio investigation of the affinity of novel bipyrazolate-based MOFs towards H 2 and CO 2 J Baima, R Macchieraldo, C Pettinari, S Casassa CrystEngComm 17 (2), 448-455, 2015	12	2015

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