Not finding it? Sign in to also search OpenAlex live.
-
OpenFermion: the electronic structure package for quantum computers2020 Quantum Science and Technology article Computer Science Quantum Computing Algorithms and Architecture Open access
Jarrod R. McClean, Nicholas C. Rubin, Kevin J. Sung, Ian Kivlichan, Xavier Bonet-Monroig, Yudong Cao, +28 more
466citations -
Getting the Manifold Right: The Crucial Role of Orbital Resolution in DFT+ U for Mixed d–f Electron Compounds2026 Journal of Chemical Theory and Computation article Physics and Astronomy Advanced Chemical Physics Studies Open access
Kinga Warda, Eric Macke, Iurii Timrov, Lucio Colombi Ciacchi, Piotr M. Kowalski
2citations -
Phonons from density-functional perturbation theory using the all-electron full-potential linearized augmented plane-wave method FLEUR *2023 Electronic Structure article Physics and Astronomy Advanced Chemical Physics Studies Open access
Christian-Roman Gerhorst, Alexander Neukirchen, Daniel Aaron Klüppelberg, Gustav Bihlmayer, Markus Betzinger, Gregor Michalicek, +2 more
9citations -
Using an artificial intelligence tool incorporating natural language processing to identify patients with a diagnosis of ANCA-associated vasculitis in electronic health records2023 Computers in Biology and Medicine article Computer Science Machine Learning in Healthcare Open access
Jolijn R. van Leeuwen, Erik Lars Penne, Ton J. Rabelink, Rachel Knevel, Y K Onno Teng
20citations -
Quantitative and temporal approach to utilising electronic medical records from general practices in mental health prediction2020 Computers in Biology and Medicine article Computer Science Machine Learning in Healthcare Open access
Olga Półchłopek, Nynke R. Koning, Frederike L. Büchner, Mathilde R. Crone, Mattijs Everard Numans, Mark Hoogendoorn
17citations -
Unraveling Crystallization Mechanisms and Electronic Structure of Phase‐Change Materials by Large‐Scale Ab Initio Simulations2022 Advanced Materials article Materials Science Phase-change materials and chalcogenides Open access
Yazhi Xu, Yuxing Zhou, Xudong Wang, Wei Zhang, Evan Ma, Volker L. Deringer, +1 more
56citations -
Electronic transport in one-dimensional Floquet topological insulators via topological and nontopological edge states2020 Physical review. B./Physical review. B article Physics and Astronomy Topological Materials and Phenomena Open access
Niclas Müller, Dante Marvin Kennes, Jelena Klinovaja, Daniel Loss, Herbert Schoeller
15citations -
Probing the electronic structure and ground state symmetry of gas phase C60+ via VUV photoionization and comparison with theory2024 The Journal of Chemical Physics article Chemistry Fullerene Chemistry and Applications Open access
Helgi Rafn Hróðmarsson, Mathias Rapacioli, Fernand Spiegelman, Gustavo A. García, Jordy Bouwman, Laurent Nahon, +1 more
5citations -
Coarse-Grained Approach to Simulate Signatures of Excitation Energy Transfer in Two-Dimensional Electronic Spectroscopy of Large Molecular Systems2024 Journal of Chemical Theory and Computation article Physics and Astronomy Spectroscopy and Quantum Chemical Studies Open access
Kai Zhong, Hoàng Long Nguyễn, Thanh Nhut, Howe‐Siang Tan, Jasper Knoester, Thomas L. C. Jansen
13citations -
Observation of Dark States in Two-Dimensional Electronic Spectra of Chlorosomes2024 The Journal of Physical Chemistry B article Physics and Astronomy Spectroscopy and Quantum Chemical Studies Open access
Vesna Erić, Xinmeng Li, Lolita Dsouza, Alfred R. Holzwarth, Francesco Buda, G. J. A. Sevink, +2 more
15citations -
Identifying signs and symptoms of AL amyloidosis in electronic health records using natural language processing, diagnosis codes, and manually abstracted registry data2023 American Journal of Hematology article Biochemistry, Genetics and Molecular Biology Amyloidosis: Diagnosis, Treatment, Outcomes Open access
Eli Silvert, Laura Hester, Eshwan Ramudu, Colin Pawlowski, Britte Kranenburg, Francis K. Buadi, +7 more
5citations -
Industrially Fabricated Single-Electron Quantum Dots in Si/Si—Ge Heterostructures2025 IEEE Electron Device Letters article Physics and Astronomy Quantum and electron transport phenomena Open access
Till Huckemann, Pascal Muster, W. Langheinrich, Varvara Brackmann, Nikola David Komericki, Laura K. Diebel, +7 more
13citations -
Microscopic origins of electron trapping in amorphous silicon nitride ( a -Si 3 N 4 ) and its role in charge-trap flash memory2026 Journal of Physics Condensed Matter article Engineering Semiconductor materials and devices Open access
Christoph Wilhelmer, Lukas Hückmann, Jonathon P. Cottom, Dominic Waldhoer, Jörg Meyer, Tibor Grasser
0citations -
Photoinduced Electron Injection in a Fully Solvated Dye-Sensitized Photoanode: A Dynamical Semiempirical Study2020 The Journal of Physical Chemistry C article Energy TiO2 Photocatalysis and Solar Cells Open access
Jan Paul Menzel, Anastasios Papadopoulos, Jelena Belić, Huub J. M. de Groot, Lucas Visscher, Francesco Buda
20citations