Roberto Dovesi

23.0k total citations · 4 hit papers
348 papers, 19.3k citations indexed

About

Roberto Dovesi is a scholar working on Materials Chemistry, Atomic and Molecular Physics, and Optics and Electronic, Optical and Magnetic Materials. According to data from OpenAlex, Roberto Dovesi has authored 348 papers receiving a total of 19.3k indexed citations (citations by other indexed papers that have themselves been cited), including 212 papers in Materials Chemistry, 160 papers in Atomic and Molecular Physics, and Optics and 105 papers in Electronic, Optical and Magnetic Materials. Recurrent topics in Roberto Dovesi's work include Advanced Chemical Physics Studies (137 papers), High-pressure geophysics and materials (64 papers) and X-ray Diffraction in Crystallography (60 papers). Roberto Dovesi is often cited by papers focused on Advanced Chemical Physics Studies (137 papers), High-pressure geophysics and materials (64 papers) and X-ray Diffraction in Crystallography (60 papers). Roberto Dovesi collaborates with scholars based in Italy, France and United Kingdom. Roberto Dovesi's co-authors include C. Roetti, Roberto Orlando, C. Pisani, Claudio M. Zicovich‐Wilson, Bartolomeo Civalleri, V. R. Saunders, Michel Rérat, Mauro Causà, Alessandro Erba and Bernard Kirtman and has published in prestigious journals such as Journal of the American Chemical Society, Physical Review Letters and The Journal of Chemical Physics.

In The Last Decade

Roberto Dovesi

342 papers receiving 18.9k citations

Hit Papers

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What are hit papers?

Hit papers significantly outperform the citation benchmark for their cohort. A paper qualifies if it has ≥500 total citations, achieves ≥1.5× the top-1% citation threshold for papers in the same subfield and year (this is the minimum needed to enter the top 1%, not the average within it), or reaches the top citation threshold in at least one of its specific research topics.

Quantum‐mechanical condensed matter simulations with CRYSTAL

2018 1.3k citations Roberto Dovesi, Bartolomeo Civalleri et al. profile →
CRYSTAL14: A program for theab initioinvestigation of crystalline solids

2014 1.1k citations Roberto Dovesi, Bartolomeo Civalleri et al. International Journal of Quantum Chemistry profile →
CRYSTAL: a computational tool for the ab initio study of the electronic properties of crystals

2005 831 citations Roberto Dovesi, Bartolomeo Civalleri et al. profile →
Hartree-Fock Ab Initio Treatment of Crystalline Systems

1988 676 citations Roberto Dovesi et al. profile →

Author Peers

Peers are selected by citation overlap in the author's most active subfields. citations · hero ref

Author						Papers	Cites
Roberto Dovesi	11.8k	5.8k	4.6k	3.9k	3.4k	348	19.3k
John S. Tse	9.9k 0.8×	4.6k 0.8×	2.4k 0.5×	2.4k 0.6×	3.4k 1.0×	515	21.0k
Keith Refson	11.2k 0.9×	2.4k 0.4×	4.4k 1.0×	2.3k 0.6×	4.2k 1.2×	143	17.9k
Mark R. Pederson	17.5k 1.5×	9.7k 1.7×	4.9k 1.1×	3.0k 0.8×	6.5k 1.9×	195	28.1k
Matt Probert	18.1k 1.5×	3.1k 0.5×	5.9k 1.3×	2.6k 0.7×	7.2k 2.1×	64	25.1k
Koblar Alan Jackson	15.4k 1.3×	8.3k 1.4×	3.5k 0.8×	2.4k 0.6×	5.6k 1.7×	119	24.1k
Stewart J. Clark	22.4k 1.9×	4.4k 0.8×	8.4k 1.8×	3.2k 0.8×	9.4k 2.8×	225	32.6k
P. J. Hasnip	16.7k 1.4×	2.8k 0.5×	5.9k 1.3×	2.5k 0.6×	6.6k 1.9×	42	23.4k
Artem R. Oganov	18.6k 1.6×	3.9k 0.7×	3.4k 0.7×	2.7k 0.7×	3.1k 0.9×	345	26.3k
Xavier Gonze	15.9k 1.3×	7.4k 1.3×	4.7k 1.0×	1.4k 0.4×	6.7k 2.0×	235	22.8k
Adrienn Ruzsinszky	12.6k 1.1×	6.5k 1.1×	4.4k 1.0×	1.9k 0.5×	5.2k 1.5×	114	19.3k

Countries citing papers authored by Roberto Dovesi

Since Specialization

Citations

This map shows the geographic impact of Roberto Dovesi's research. It shows the number of citations coming from papers published by authors working in each country. You can also color the map by specialization and compare the number of citations received by Roberto Dovesi with the expected number of citations based on a country's size and research output (numbers larger than one mean the country cites Roberto Dovesi more than expected).

Fields of papers citing papers by Roberto Dovesi

Since Specialization

Physical SciencesHealth SciencesLife SciencesSocial Sciences

This network shows the impact of papers produced by Roberto Dovesi. Nodes represent research fields, and links connect fields that are likely to share authors. Colored nodes show fields that tend to cite the papers produced by Roberto Dovesi. The network helps show where Roberto Dovesi may publish in the future.

Co-authorship network of co-authors of Roberto Dovesi

This figure shows the co-authorship network connecting the top 25 collaborators of Roberto Dovesi. A scholar is included among the top collaborators of Roberto Dovesi based on the total number of citations received by their joint publications. Widths of edges represent the number of papers authors have co-authored together. Node borders signify the number of papers an author published with Roberto Dovesi. Roberto Dovesi is excluded from the visualization to improve readability, since they are connected to all nodes in the network.

All Works

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20 of 20 papers shown

Pascale, Fabien, et al.. (2024). t2gd orbital ordering patterns in KBF3 (B = Sc, Ti, Fe, Co) perovskites. Journal of Computational Chemistry. 45(24). 2048–2058. 1 indexed citations

Mackrodt, W. C., Alexander Platonenko, Fabien Pascale, & Roberto Dovesi. (2024). The energies and charge and spin distributions in the low-lying levels of singlet and triplet N2V defects in diamond from direct variational calculations of the excited states. The Journal of Chemical Physics. 160(3). 3 indexed citations

Pascale, Fabien, Philippe D’Arco, Sébastien Lebègue∥, & Roberto Dovesi. (2024). Jahn‐Teller distortion, octahedra rotations and orbital ordering in perovskites: KScF 3 as a model system. Journal of Computational Chemistry. 45(14). 1067–1077. 4 indexed citations

Platonenko, Alexander, W. C. Mackrodt, & Roberto Dovesi. (2023). The Electronic Structures and Energies of the Lowest Excited States of the Ns0, Ns+, Ns− and Ns-H Defects in Diamond. Materials. 16(5). 1979–1979. 1 indexed citations

Pascale, Fabien, et al.. (2023). The role of the A monovalent cation in the AVF₃ perovskite series. A quantum mechanical investigation. Physical Chemistry Chemical Physics. 25(18). 12961–12973. 3 indexed citations

Pascale, Fabien, Saber Gueddida∥, K. Doll, & Roberto Dovesi. (2023). Band gap, Jahn‐Teller deformation, octahedra rotation in transition metal perovskites LaTiO3. Journal of Computational Chemistry. 45(10). 683–694. 4 indexed citations

Pascale, Fabien, Mariachiara Pastore, K. Doll, & Roberto Dovesi. (2023). On the role of the exact Hartree–Fock exchange in determining the Jahn–Teller energy splitting and electronic band gap in the KBF3 (B=Sc, Ti, Fe, Co, Cr and Cu) perovskites. A quantum mechanical investigation. Chemical Physics Letters. 836. 141053–141053. 1 indexed citations

Pascale, Fabien, et al.. (2023). The d Orbital Multi Pattern Occupancy in a Partially Filled d Shell: The KFeF3 Perovskite as a Test Case. Materials. 16(4). 1532–1532. 6 indexed citations

Nogueira, Bernardo A., Michel Rérat, Rui Fausto, Chiara Castiglioni, & Roberto Dovesi. (2022). Raman activity of the longitudinal optical phonons of the LiNbO₃ crystal: Experimental determination and quantum mechanical simulation. Journal of Raman Spectroscopy. 53(11). 1904–1914. 3 indexed citations

10.

Pascale, Fabien, K. Doll, Francesco Silvio Gentile, & Roberto Dovesi. (2022). How deeply are core electrons perturbed when valence electrons are spin polarized? The case study of transition metal compounds. Journal of Computational Chemistry. 44(2). 65–75. 4 indexed citations

11.

Pascale, Fabien, et al.. (2022). Quantum mechanical simulation of various phases of KVF₃ perovskite. Journal of Physics Condensed Matter. 34(28). 285401–285401. 4 indexed citations

12.

Platonenko, Alexander, et al.. (2021). Oxygen and vacancy defects in silicon. A quantum mechanical characterization through the IR and Raman spectra. The Journal of Chemical Physics. 154(17). 174707–174707. 2 indexed citations

13.

Pascale, Fabien, Philippe D’Arco, Valentina Lacivita, & Roberto Dovesi. (2021). The superexchange mechanism in crystalline compounds. The case of KMF₃ (M = Mn, Fe, Co, Ni) perovskites. Journal of Physics Condensed Matter. 34(7). 74002–74002. 5 indexed citations

14.

Gentile, Francesco Silvio, et al.. (2020). The spectroscopic characterization of interstitial oxygen in bulk silicon: A quantum mechanical simulation. The Journal of Chemical Physics. 152(5). 54502–54502. 4 indexed citations

15.

Dovesi, Roberto, Fabien Pascale, Bartolomeo Civalleri, et al.. (2020). The CRYSTAL code, 1976–2020 and beyond, a long story. The Journal of Chemical Physics. 152(20). 204111–204111. 152 indexed citations

16.

Gentile, Francesco Silvio, et al.. (2020). The VN defect in diamond: A quantum mechanical simulation of the vibrational spectra and EPR properties. Carbon. 170. 600–605. 4 indexed citations

17.

Platonenko, Alexander, Francesco Silvio Gentile, Fabien Pascale, et al.. (2019). Nitrogen substitutional defects in silicon. A quantum mechanical investigation of the structural, electronic and vibrational properties. Physical Chemistry Chemical Physics. 21(37). 20939–20950. 21 indexed citations

18.

Pascale, Fabien, Simone Salustro, Anna Maria Ferrari, et al.. (2018). The Infrared spectrum of very large (periodic) systems: global versus fragment strategies—the case of three defects in diamond. Theoretical Chemistry Accounts. 137(12). 11 indexed citations

19.

Haye, Émile, Erwan André, Fabien Capon, et al.. (2018). Experimental and Theoretical Infrared Signatures of REMO₃ (RE = La, Pr, Nd, Sm, and M = Co, Fe) Perovskites. The Journal of Physical Chemistry C. 122(19). 10519–10525. 12 indexed citations

20.

Demichelis, Raffaella, Bartolomeo Civalleri, Matteo Ferrabone, & Roberto Dovesi. (2009). On the performance of eleven DFT functionals in the description of the vibrational properties of aluminosilicates. International Journal of Quantum Chemistry. 110(2). 406–415. 114 indexed citations

Rankless uses publication and citation data sourced from OpenAlex, an open and comprehensive bibliographic database. While OpenAlex provides broad and valuable coverage of the global research landscape, it—like all bibliographic datasets—has inherent limitations. These include incomplete records, variations in author disambiguation, differences in journal indexing, and delays in data updates. As a result, some metrics and network relationships displayed in Rankless may not fully capture the entirety of a scholar's output or impact.

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