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Gianluca Levi - Publications

Affiliations: 
2018- University of Iceland, Reykjavík, Iceland 
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16 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
2024 Mortensen JJ, Larsen AH, Kuisma M, Ivanov AV, Taghizadeh A, Peterson A, Haldar A, Dohn AO, Schäfer C, Jónsson EÖ, Hermes ED, Nilsson FA, Kastlunger G, Levi G, Jónsson H, et al. GPAW: An open Python package for electronic structure calculations. The Journal of Chemical Physics. 160. PMID 38450733 DOI: 10.1063/5.0182685  0.719
2023 Sigurdarson AE, Schmerwitz YLA, Tveiten DKV, Levi G, Jónsson H. Orbital-optimized density functional calculations of molecular Rydberg excited states with real space grid representation and self-interaction correction. The Journal of Chemical Physics. 159. PMID 38047508 DOI: 10.1063/5.0179271  0.665
2023 Schmerwitz YLA, Levi G, Jónsson H. Calculations of Excited Electronic States by Converging on Saddle Points Using Generalized Mode Following. Journal of Chemical Theory and Computation. PMID 37283439 DOI: 10.1021/acs.jctc.3c00178  0.672
2023 Katayama T, Choi TK, Khakhulin D, Dohn AO, Milne CJ, Vankó G, Németh Z, Lima FA, Szlachetko J, Sato T, Nozawa S, Adachi SI, Yabashi M, Penfold TJ, Gawelda W, ... Levi G, et al. Atomic-scale observation of solvent reorganization influencing photoinduced structural dynamics in a copper complex photosensitizer. Chemical Science. 14: 2572-2584. PMID 36908966 DOI: 10.1039/d2sc06600a  0.71
2022 Schmerwitz YLA, Ivanov AV, Jónsson EÖ, Jónsson H, Levi G. Variational Density Functional Calculations of Excited States: Conical Intersection and Avoided Crossing in Ethylene Bond Twisting. The Journal of Physical Chemistry Letters. 13: 3990-3999. PMID 35481754 DOI: 10.1021/acs.jpclett.2c00741  0.771
2021 Ivanov AV, Levi G, Jónsson EÖ, Jónsson H. Method for Calculating Excited Electronic States Using Density Functionals and Direct Orbital Optimization with Real Space Grid or Plane-Wave Basis Set. Journal of Chemical Theory and Computation. PMID 34227810 DOI: 10.1021/acs.jctc.1c00157  0.777
2020 Brandenburg JG, Burke K, Fromager E, Gatti M, Giarrusso S, Gidopoulos NI, Gori-Giorgi P, Gowland D, Helgaker T, Hodgson MJP, Lacombe L, Levi G, Loos PF, Maitra NT, Maurina Morais E, et al. New approaches to study excited states in density functional theory: general discussion. Faraday Discussions. PMID 33245076 DOI: 10.1039/d0fd90026e  0.358
2020 Levi G, Ivanov AV, Jónsson H. Variational Density Functional Calculations of Excited States via Direct Optimization. Journal of Chemical Theory and Computation. PMID 33064484 DOI: 10.1021/acs.jctc.0c00597  0.762
2020 Levi G, Ivanov AV, Jónsson H. Variational calculations of excited states direct optimization of the orbitals in DFT. Faraday Discussions. PMID 32935688 DOI: 10.1039/D0Fd00064G  0.761
2019 Levi G, Biasin E, Dohn AO, Jónsson H. On the interplay of solvent and conformational effects in simulated excited-state dynamics of a copper phenanthroline photosensitizer. Physical Chemistry Chemical Physics : Pccp. PMID 31833490 DOI: 10.1039/C9Cp06086C  0.761
2019 Haldrup K, Levi G, Biasin E, Vester P, Laursen MG, Beyer F, Kjær KS, Brandt van Driel T, Harlang T, Dohn AO, Hartsock RJ, Nelson S, Glownia JM, Lemke HT, Christensen M, et al. Ultrafast X-Ray Scattering Measurements of Coherent Structural Dynamics on the Ground-State Potential Energy Surface of a Diplatinum Molecule. Physical Review Letters. 122: 063001. PMID 30822093 DOI: 10.1103/Physrevlett.122.063001  0.776
2019 Abedi M, Levi G, Zederkof DB, Henriksen NE, Pápai M, Møller KB. Excited-state solvation structure of transition metal complexes from molecular dynamics simulations and assessment of partial atomic charge methods. Physical Chemistry Chemical Physics : Pccp. 21: 4082-4095. PMID 30719515 DOI: 10.1039/C8Cp06567E  0.696
2019 Pápai M, Abedi M, Levi G, Biasin E, Nielsen MM, Møller KB. Theoretical Evidence of Solvent-Mediated Excited-State Dynamics in a Functionalized Iron Sensitizer The Journal of Physical Chemistry C. 123: 2056-2065. DOI: 10.1021/Acs.Jpcc.8B10768  0.72
2018 Biasin E, van Driel TB, Levi G, Laursen MG, Dohn AO, Moltke A, Vester P, Hansen FBK, Kjaer KS, Harlang T, Hartsock R, Christensen M, Gaffney KJ, Henriksen NE, Møller KB, et al. Anisotropy enhanced X-ray scattering from solvated transition metal complexes. Journal of Synchrotron Radiation. 25: 306-315. PMID 29488907 DOI: 10.1107/S1600577517016964  0.732
2018 Levi G, Pápai M, Henriksen NE, Dohn AO, Møller KB. Solution Structure and Ultrafast Vibrational Relaxation of the PtPOP Complex Revealed by ΔSCF-QM/MM Direct Dynamics Simulations The Journal of Physical Chemistry C. 122: 7100-7119. DOI: 10.1021/Acs.Jpcc.8B00301  0.795
2017 Dohn AO, Jónsson EÖ, Levi G, Mortensen JJ, Lopez-Acevedo O, Thygesen KS, Jacobsen KW, Ulstrup J, Henriksen NE, Moller KB, Jonsson H. A GPAW Implementation of QM/MM Electrostatic Embedding and Application to a Solvated Diplatinum Complex. Journal of Chemical Theory and Computation. PMID 29083921 DOI: 10.1021/Acs.Jctc.7B00621  0.73
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