2022
Andrew Teale, Trygve Helgaker, Andreas Savin, Carlo Adamo, Balint Aradi, Arbuznikov V, Alexei, Paul Ayers, Evert Baerends, Vincenzo Barone, Patrizia Calaminici, Eric Cances, Emily Carter, Pratim Chattaraj, Henry Chermette, Ilaria Ciofini, Daniel Crawford, Frank De Proft, John Dobson, Claudia Draxl, Thomas Frauenheim, Emmanuel Fromager, Patricio Fuentealba, Laura Gagliardi, Giulia Galli, Jiali Gao, Paul Geerlings, Nikitas Gidopoulos, Peter Gill, Paola Gori-Giorgi, Andreas Gorling, Tim Gould, Stefan Grimme, Oleg Gritsenko, Hans Jensen, Erin Johnson, Robert Jones, Martin Kaupp, Andreas Koster, Leeor Kronik, Anna Krylov, Simen Kvaal, Andre Laestadius, Mel Levy, Mathieu Lewin, Shubin Liu, Pierre-Francois Loos, Neepa Maitra, Frank Neese, John Perdew, Katarzyna Pernal, Pascal Pernot, Piotr Piecuch, Elisa Rebolini, Lucia Reining, Pina Romaniello, Adrienn Ruzsinszky, Dennis Salahub, Matthias Scheffler, Peter Schwerdtfeger, Viktor Staroverov, Jianwei Sun, Erik Tellgren, David Tozer, Samuel Trickey, Carsten Ullrich, Alberto Vela, Giovanni Vignale, Tomasz Wesolowski, Xin Xu, Weitao Yang DFT exchange: sharing perspectives on the workhorse of quantum chemistry and materials science PHYSICAL CHEMISTRY CHEMICAL PHYSICS 24, 28700-28781 (2022). Export BibTeX
Christian Vorwerk, Francesco Sottile, Claudia Draxl All-electron many-body approach to resonant inelastic X-ray scattering Phys. Chem. Chem. Phys. 24, 17439-17448 (2022). Export BibTeX External Link.
Marco Vanzini, Ayoub Aouina, Martin Panholzer, Matteo Gatti, Lucia Reining Connector theory for reusing model results to determine materials properties npj Computational Materials 8, 98 (2022). Export BibTeX External Link.
Matteo Gatti Theoretical spectroscopy: unravelling electronic correlations for materials design Il Nuovo Saggiatore 38, (2022). Export BibTeX External Link.
Stefano Mazzei, Christine Giorgetti Optical response of two-dimensional systems: Insights from classical electromagnetism to ab initio calculations Phys. Rev. B 106, 035431 (2022). Export BibTeX External Link.
2021
Rajarshi Sinha-Roy, Xochitl Lopez-Lozano, Robert Whetten, Hans-Christian Weissker Optical properties of Ag$_29$(BDT)$_12$(TPP)$_4$ in the VIS and UV and influence of ligand modeling based on real-time electron dynamics Theoretical Chemistry Accounts 140, 91 (2021). Export BibTeX External Link.
Giorgia Fugallo, Pierluigi Cudazzo, Matteo Gatti, Francesco Sottile Exciton band structure of molybdenum disulfide: from monolayer to bulk Electronic Structure 3, 014005 (2021). Export BibTeX External Link.
Arnaud Lorin, Matteo Gatti, Lucia Reining, Francesco Sottile First-principles study of excitons in optical spectra of silver chloride Phys. Rev. B 104, 235149 (2021). Export BibTeX External Link.
C. Elias, Giorgia Fugallo, P. Valvin, C. L'Henoret, J. Li, J. Edgar, Francesco Sottile, M. Lazzeri, A. Ouerghi, B. Gil, G. Cassabois Flat Bands and Giant Light-Matter Interaction in Hexagonal Boron Nitride Phys. Rev. Lett. 127, 137401 (2021). Export BibTeX External Link.
Kari Ruotsalainen, Matteo Gatti, James Ablett, Flora Yakhou-Harris, Jean-Pascal Rueff, Adrian David, Wilfrid Prellier, Alessandro Nicolaou Resonant inelastic x-ray scattering study of doping and temperature dependence of low-energy excitations in La1-xSrxVO3 thin films Phys. Rev. B 103, 235158 (2021). Export BibTeX External Link.
Kari Ruotsalainen, Alessandro Nicolaou, Christoph Sahle, Anna Efimenko, James Ablett, Jean-Pascal Rueff, Dharmalingam Prabhakaran, Matteo Gatti Dynamical screening in SrVO3: Inelastic x-ray scattering experiments and ab initio calculations Phys. Rev. B 103, 235136 (2021). Export BibTeX External Link.
Federico Pressacco, Davide Sangalli, Vojt\v r, Dmytro Kutnyakhov, Jon Arregi, Steinn Agustsson, Günter Brenner, Harald Redlin, Michael Heber, Dmitry Vasilyev, Jure Demsar, Gerd Schönhense, Matteo Gatti, Andrea Marini, Wilfried Wurth, Fausto Sirotti Subpicosecond metamagnetic phase transition in FeRh driven by non-equilibrium electron dynamics Nature communications 12, 5088 (2021). Export BibTeX External Link.
2020
Pierluigi Cudazzo, Lucia Reining Correlation satellites in optical and loss spectra PHYSICAL REVIEW RESEARCH 2, 012032 (2020). Export BibTeX
Jan Brandenburg, Kieron Burke, Antonio Cancio, Jannis Erhard, Emmanuel Fromager, Abhisek Ghosal, Nikitas Gidopoulos, Paola Gori-Giorgi, Trygve Helgaker, Ben Hourahine, Christoph Jacob, Derk Kooi, Neepa Maitra, Manasi Mulay, Katarzyna Pernal, Aurora Pribram-Jones, Lucia Reining, Pina Romaniello, Matthew Ryder, Andreas Savin, Chris-Kriton Skylaris, Andrew Teale, David Tozer, Donald Truhlar, Weitao Yang New density-functional approximations and beyond: general discussion FARADAY DISCUSSIONS 224, 166-200 (2020). Export BibTeX
Jan Brandenburg, Kieron Burke, Emmanuel Fromager, Matteo Gatti, Sara Giarrusso, Nikitas Gidopoulos, Paola Gori-Giorgi, Duncan Gowland, Trygve Helgaker, Matthew Hodgson, Lionel Lacombe, Gianluca Levi, Pierre-Francois Loos, Neepa Maitra, Eduardo Morais, Nisha Mehta, Filippo Monti, Manasi Mulay, Katarzyna Pernal, Lucia Reining, Pina Romaniello, Matthew Ryder, Andreas Savin, Dumitru Sirbu, Andrew Teale, Alex Thom, Donald Truhlar, Jack Wetherell, Weitao Yang New approaches to study excited states in density functional theory: general discussion FARADAY DISCUSSIONS 224, 483-508 (2020). Export BibTeX
Zhesheng Chen, Jingwei Dong, Christine Giorgetti, Evangelos Papalazarou, Marino Marsi, Zailan Zhang, Bingbing Tian, Qingwei Ma, Yingchun Cheng, Jean-Pascal Rueff, Amina Taleb-Ibrahimi, Luca Perfetti Spectroscopy of buried states in black phosphorus with surface doping 2D MATERIALS 7, 035027 (2020). Export BibTeX
Marilena Tzavala, J. Kas, Lucia Reining, John Rehr Nonlinear response in the cumulant expansion for core-level photoemission PHYSICAL REVIEW RESEARCH 2, 033147 (2020). Export BibTeX
Jihene Zribi, Lama Khalil, José Avila, Julien Chaste, Hugo Henck, Fabrice Oehler, Bernard Gil, Song Liu, James Edgar, Christine Giorgetti, Yannick Dappe, Emmanuel Lhuillier, Guillaume Cassabois, Abdelkarim Ouerghi, Debora Pierucci Structural and electronic transitions in few layers of isotopically pure hexagonal boron nitride PHYSICAL REVIEW B 102, 115141 (2020). Export BibTeX
Jianqiang Zhou, Lucia Reining, Alessandro Nicolaou, Azzedine Bendounan, Kari Ruotsalainen, Marco Vanzini, J. Kas, John Rehr, Matthias Muntwiler, Vladimir Strocov, Fausto Sirotti, Matteo Gatti Unraveling intrinsic correlation effects with angle-resolved photoemission spectroscopy Proceedings of the National Academy of Sciences 117, 28596 (2020). Export BibTeX External Link.