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Enrico Ronca - Publications

Affiliations: 
2016-2017 Chemistry California Institute of Technology, Pasadena, CA 
 2017-2019 Theory Max-Planck Institute for the Structure and Dynamics of Matter 
 2019- Istituto per i Processi Chimico-Fisici Consiglio Nazionale delle Ricerche (CNR), Italy 
Area:
Theoretical Chemistry/Physics
Website:
https://eronca.wordpress.com
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28 high-probability publications. We are testing a new system for linking publications to authors. You can help! If you notice any inaccuracies, please sign in and mark papers as correct or incorrect matches. If you identify any major omissions or other inaccuracies in the publication list, please let us know.

Year Citation  Score
2022 Schäfer C, Flick J, Ronca E, Narang P, Rubio A. Shining light on the microscopic resonant mechanism responsible for cavity-mediated chemical reactivity. Nature Communications. 13: 7817. PMID 36535939 DOI: 10.1038/s41467-022-35363-6  0.397
2022 Sidler D, Ruggenthaler M, Schäfer C, Ronca E, Rubio A. A perspective on ab initio modeling of polaritonic chemistry: The role of non-equilibrium effects and quantum collectivity. The Journal of Chemical Physics. 156: 230901. PMID 35732522 DOI: 10.1063/5.0094956  0.475
2022 Riso RR, Haugland TS, Ronca E, Koch H. Molecular orbital theory in cavity QED environments. Nature Communications. 13: 1368. PMID 35292631 DOI: 10.1038/s41467-022-29003-2  0.313
2021 Haugland TS, Schäfer C, Ronca E, Rubio A, Koch H. Intermolecular interactions in optical cavities: An ab initio QED study. The Journal of Chemical Physics. 154: 094113. PMID 33685159 DOI: 10.1063/5.0039256  0.46
2020 Sun Q, Zhang X, Banerjee S, Bao P, Barbry M, Blunt NS, Bogdanov NA, Booth GH, Chen J, Cui ZH, Eriksen JJ, Gao Y, Guo S, Hermann J, Hermes MR, ... ... Ronca E, et al. Recent developments in the PySCF program package. The Journal of Chemical Physics. 153: 024109. PMID 32668948 DOI: 10.1063/5.0006074  0.62
2020 Motta M, Genovese C, Ma F, Cui Z, Sawaya R, Chan GK, Chepiga N, Helms P, Jiménez-Hoyos C, Millis AJ, Ray U, Ronca E, Shi H, Sorella S, Stoudenmire EM, et al. Ground-State Properties of the Hydrogen Chain: Dimerization, Insulator-to-Metal Transition, and Magnetic Phases Physical Review X. 10. DOI: 10.1103/Physrevx.10.031058  0.404
2019 Cesario D, Nunzi F, Belpassi L, Pirani F, Ronca E, Tarantelli F. Chemical Bond Mechanism for Helium Revealed by Electronic Excitation. The Journal of Physical Chemistry. A. PMID 31274318 DOI: 10.1021/Acs.Jpca.9B05351  0.561
2019 Latini S, Ronca E, De Giovannini U, Hübener H, Rubio A. Cavity Control of Excitons in Two-Dimensional Materials. Nano Letters. PMID 31046291 DOI: 10.1021/Acs.Nanolett.9B00183  0.502
2019 Wang X, Ronca E, Sentef MA. Cavity quantum electrodynamical Chern insulator: Towards light-induced quantized anomalous Hall effect in graphene Physical Review B. 99. DOI: 10.1103/Physrevb.99.235156  0.321
2017 Ronca E, Li Z, Jimenez-Hoyos CA, Chan GK. Time-step targeting time-dependent and dynamical density matrix renormalization group algorithms with ab initio Hamiltonians. Journal of Chemical Theory and Computation. PMID 28953377 DOI: 10.1021/Acs.Jctc.7B00682  0.653
2017 Sokolov AY, Guo S, Ronca E, Chan GK. Time-dependent N-electron valence perturbation theory with matrix product state reference wavefunctions for large active spaces and basis sets: Applications to the chromium dimer and all-trans polyenes. The Journal of Chemical Physics. 146: 244102. PMID 28668022 DOI: 10.1063/1.4986975  0.598
2016 McClain J, Lischner J, Watson T, Matthews DA, Ronca E, Louie SG, Berkelbach TC, Chan GK. Spectral functions of the uniform electron gas via coupled-cluster theory and comparison to theGWand related approximations Physical Review B. 93. DOI: 10.1103/Physrevb.93.235139  0.613
2015 Azpiroz JM, Ronca E, De Angelis F. Photoinduced Energy Shift in Quantum-Dot-Sensitized TiO2: A First-Principles Analysis. The Journal of Physical Chemistry Letters. 6: 1423-9. PMID 26263146 DOI: 10.1021/Acs.Jpclett.5B00393  0.392
2015 Lasser L, Ronca E, Pastore M, De Angelis F, Cornil J, Lazzaroni R, Beljonne D. Energy level alignment at titanium oxide-dye interfaces: Implications for electron injection and light harvesting Journal of Physical Chemistry C. 119: 9899-9909. DOI: 10.1021/Acs.Jpcc.5B01267  0.349
2014 Ronca E, Angeli C, Belpassi L, De Angelis F, Tarantelli F, Pastore M. Density Relaxation in Time-Dependent Density Functional Theory: Combining Relaxed Density Natural Orbitals and Multireference Perturbation Theories for an Improved Description of Excited States. Journal of Chemical Theory and Computation. 10: 4014-24. PMID 26588545 DOI: 10.1021/Ct5004675  0.597
2014 Mosconi E, Ronca E, De Angelis F. First-Principles Investigation of the TiO2/Organohalide Perovskites Interface: The Role of Interfacial Chlorine. The Journal of Physical Chemistry Letters. 5: 2619-25. PMID 26277953 DOI: 10.1021/Jz501127K  0.344
2014 Fantacci S, Ronca E, De Angelis F. Impact of Spin-Orbit Coupling on Photocurrent Generation in Ruthenium Dye-Sensitized Solar Cells. The Journal of Physical Chemistry Letters. 5: 375-80. PMID 26270714 DOI: 10.1021/Jz402544R  0.347
2014 Ronca E, Belpassi L, Tarantelli F. A quantitative view of charge transfer in the hydrogen bond: the water dimer case. Chemphyschem : a European Journal of Chemical Physics and Physical Chemistry. 15: 2682-7. PMID 25044753 DOI: 10.1002/Cphc.201402321  0.548
2014 Amat A, Mosconi E, Ronca E, Quarti C, Umari P, Nazeeruddin MK, Grätzel M, De Angelis F. Cation-induced band-gap tuning in organohalide perovskites: interplay of spin-orbit coupling and octahedra tilting. Nano Letters. 14: 3608-16. PMID 24797342 DOI: 10.1021/Nl5012992  0.385
2014 Ronca E, Pastore M, Belpassi L, De Angelis F, Angeli C, Cimiraglia R, Tarantelli F. Charge-displacement analysis for excited states. The Journal of Chemical Physics. 140: 054110. PMID 24511925 DOI: 10.1063/1.4863411  0.548
2014 Ronca E, De Angelis F, Fantacci S. Time-dependent density functional theory modeling of spin-orbit coupling in ruthenium and osmium solar cell sensitizers Journal of Physical Chemistry C. 118: 17067-17078. DOI: 10.1021/Jp500869R  0.355
2014 Ronca E, Marotta G, Pastore M, De Angelis F. Effect of sensitizer structure and TiO2 protonation on charge generation in dye-sensitized solar cells Journal of Physical Chemistry C. 118: 16927-16940. DOI: 10.1021/Jp5004853  0.383
2014 Ronca E, Angeli C, Belpassi L, De Angelis F, Tarantelli F, Pastore M. Density relaxation in time-dependent density functional theory: Combining relaxed density natural orbitals and multireference perturbation theories for an improved description of excited states Journal of Chemical Theory and Computation. 10: 4014-4024. DOI: 10.1021/ct5004675  0.509
2013 Agrawal S, Leijtens T, Ronca E, Pastore M, Snaith H, De Angelis F. Modeling the effect of ionic additives on the optical and electronic properties of a dye-sensitized TiO2 heterointerface: Absorption, charge injection and aggregation Journal of Materials Chemistry A. 1: 14675-14685. DOI: 10.1039/C3Ta12917A  0.365
2013 Nunzi F, Mosconi E, Storchi L, Ronca E, Selloni A, Grätzel M, De Angelis F. Inherent electronic trap states in TiO2 nanocrystals: Effect of saturation and sintering Energy and Environmental Science. 6: 1221-1229. DOI: 10.1039/C3Ee24100A  0.402
2013 Ronca E, Pastore M, Belpassi L, Tarantelli F, De Angelis F. Influence of the dye molecular structure on the TiO2 conduction band in dye-sensitized solar cells: Disentangling charge transfer and electrostatic effects Energy and Environmental Science. 6: 183-193. DOI: 10.1039/C2Ee23170K  0.553
2012 Anselmi C, Mosconi E, Pastore M, Ronca E, De Angelis F. Adsorption of organic dyes on TiO2 surfaces in dye-sensitized solar cells: interplay of theory and experiment. Physical Chemistry Chemical Physics : Pccp. 14: 15963-74. PMID 23108504 DOI: 10.1039/C2Cp43006A  0.337
2012 Cappelletti D, Ronca E, Belpassi L, Tarantelli F, Pirani F. Revealing charge-transfer effects in gas-phase water chemistry. Accounts of Chemical Research. 45: 1571-80. PMID 22775359 DOI: 10.1021/Ar3000635  0.589
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