Quantum HF/DFT-embedding algorithms for electronic structure calculations: Scaling up to complex molecular systems M Rossmannek, PK Barkoutsos, PJ Ollitrault, I Tavernelli The Journal of Chemical Physics 154 (11), 2021 | 56 | 2021 |
Quantum embedding method for the simulation of strongly correlated systems on quantum computers M Rossmannek, F Pavosevic, A Rubio, I Tavernelli The Journal of Physical Chemistry Letters 14 (14), 3491-3497, 2023 | 24 | 2023 |
On-surface synthesis of a doubly anti-aromatic carbon allotrope Y Gao, F Albrecht, I Rončević, I Ettedgui, P Kumar, LM Scriven, ... Nature 623 (7989), 977-981, 2023 | 19* | 2023 |
Aromaticity reversal induced by vibrations in cyclo [16] carbon I Rončević, FJ Leslie, M Rossmannek, I Tavernelli, L Gross, ... Journal of the American Chemical Society 145 (49), 26962-26972, 2023 | 4 | 2023 |
Density-functional theory determinations using a quantum computing system I Tavernelli, P Barkoutsos, P Ollitrault, M Rossmannek US Patent 11,942,192, 2024 | | 2024 |
Quantum computing software design: Interfacing classical codes M Rossmannek, I Tavernelli, P Barkoutsos American Chemical Society (ACS) Fall Meeting, 2022 | | 2022 |
Quantum-DFT embedding algorithm for electronic structure calculations M Rossmannek, P Barkoutsos, PJ Ollitrault, V Weber, V Rybkin, J Hutter, ... American Chemical Society (ACS) Spring Meeting, 2022 | | 2022 |