Recent developments in the PySCF program package Q Sun, X Zhang, S Banerjee, P Bao, M Barbry, NS Blunt, NA Bogdanov, ... The Journal of Chemical Physics 153 (2), 024109, 2020 | 646 | 2020 |
Atomistic near-field nanoplasmonics: reaching atomic-scale resolution in nanooptics M Barbry, P Koval, F Marchesin, R Esteban, AG Borisov, J Aizpurua, ... Nano letters 15 (5), 3410-3419, 2015 | 351 | 2015 |
Atomic-scale lightning rod effect in plasmonic picocavities: A classical view to a quantum effect M Urbieta, M Barbry, Y Zhang, P Koval, D Sánchez-Portal, N Zabala, ... ACS nano 12 (1), 585-595, 2018 | 209 | 2018 |
ET; Sun, C.; Sun, S Q Sun, X Zhang, S Banerjee, P Bao, M Barbry, NS Blunt, NA Bogdanov, ... N, 0 | 62 | |
Plasmonic response of metallic nanojunctions driven by single atom motion: quantum transport revealed in optics F Marchesin, P Koval, M Barbry, J Aizpurua, D Sanchez-Portal ACS Photonics 3 (2), 269-277, 2016 | 61 | 2016 |
Efficiency loss processes in hyperfluorescent OLEDs: A kinetic Monte Carlo study S Gottardi, M Barbry, R Coehoorn, H Eersel 114 7, 073301, 2019 | 41 | 2019 |
PySCF-NAO: An efficient and flexible implementation of linear response time-dependent density functional theory with numerical atomic orbitals P Koval, M Barbry, D Sánchez-Portal Computer Physics Communications 236, 188-204, 2019 | 17 | 2019 |
Plasmons in nanoparticles: atomistic Ab Initio theory for large systems MRA Barbry | 8 | 2018 |
Research data supporting" Footprints of atomic-scale features in plasmonic nanoparticles as revealed by Electron Energy Loss Spectroscopy" M Urbieta, M Barbry, P Koval, A Rivacoba, D Sánchez-Portal, J Aizpurua, ... | | 2024 |
Footprints of atomic-scale features in plasmonic nanoparticles as revealed by electron energy loss spectroscopy M Urbieta, M Barbry, P Koval, A Rivacoba, D Sánchez-Portal, J Aizpurua, ... Physical Chemistry Chemical Physics 26 (20), 14991-15004, 2024 | | 2024 |
P‐169: Towards Fully Integrated 3D Master Equation—Kinetic Monte Carlo Predictive Device Simulations S van Mensfoort, M Barbry, S Gottardi, H van Eersel SID Symposium Digest of Technical Papers 51 (1), 2022-2023, 2020 | | 2020 |
52.3: Disentangling Excitonic Loss Mechanisms in TADF‐Type OLEDs Using Kinetic Monte Carlo Simulations S van Mensfoort, S Gottardi, M Barbry, R Coehoorn, H van Eersel SID Symposium Digest of Technical Papers 50, 575-575, 2019 | | 2019 |
Nanoplasmonics driven by single-atom rearrangements P Koval, F Marchesin, M Barbry, J Aizpurua, D Sánchez-Portal | | 2018 |
Atomic-scale lightning rod effect in plasmonic nanoparticles: a classical view to a quantum effect M Urbieta, M Barbry, P Koval, D Sánchez-Portal, J Aizpurua, N Zabala | | 2018 |
Efficient Iterative TDDFT: Applications to QMD Simulations of Optical Spectra P Koval, M Barbry, D Sanchez-Portal APS March Meeting Abstracts 2018, A29. 012, 2018 | | 2018 |
Nanoplasmonics from large-scale ab initio calculations: opposite trends in Ag and Na clusters M Barbry, P Koval, NE Koval, J Aizpurua, D Sánchez-Portal | | 2017 |
Optical spectroscopy of metallic nanoparticles: classical versus quantun description M Urbieta, M Barbry, Y Zhang, P Koval, D Sánchez-Portal, N Zabala, ... | | 2016 |
Optical spectroscopy of metallic icosahedral nanoparticles: classical versus atomistic description M Urbieta, Y Zhang, M Barbry, P Koval, D Sánchez-Portal, N Zabala, ... | | 2016 |
Optical response of metal nanojunctions driven by single atom motion: influence of quantized electron transport on nanoplasmonics D Sanchez-Portal, F Marchesin, P Koval, M Barbry, J Aizpurua APS March Meeting Abstracts 2016, V31. 003, 2016 | | 2016 |
Optical response of metallic nanojunctions driven by single atom motion F Marchesin, P Koval, M Barbry, J Aizpurua, D Sanchez-Portal arXiv preprint arXiv:1509.07194, 2015 | | 2015 |