Zobrazeno 1 - 10
of 124
pro vyhledávání: '"Nikolaj, Moll"'
Autor:
Pauline J. Ollitrault, Matthias Loipersberger, Robert M. Parrish, Alexander Erhard, Christine Maier, Christian Sommer, Juris Ulmanis, Thomas Monz, Christian Gogolin, Christofer S. Tautermann, Gian-Luca R. Anselmetti, Matthias Degroote, Nikolaj Moll, Raffaele Santagati, Michael Streif
Publikováno v:
ACS Central Science, Vol 10, Iss 4, Pp 882-889 (2024)
Externí odkaz:
https://doaj.org/article/edeeacbc55284edaa53ecd604d1a52ff
Autor:
Cristian L. Cortes, Matthias Loipersberger, Robert M. Parrish, Sam Morley-Short, William Pol, Sukin Sim, Mark Steudtner, Christofer S. Tautermann, Matthias Degroote, Nikolaj Moll, Raffaele Santagati, Michael Streif
Publikováno v:
PRX Quantum, Vol 5, Iss 1, p 010336 (2024)
The efficient computation of observables beyond the total energy is a key challenge and opportunity for fault-tolerant quantum computing approaches in quantum chemistry. Here, we consider the symmetry-adapted perturbation-theory (SAPT) components of
Externí odkaz:
https://doaj.org/article/df48d5b94e384f09bc4d4aca9d96e953
Autor:
Matthew Kiser, Anna Schroeder, Gian-Luca R Anselmetti, Chandan Kumar, Nikolaj Moll, Michael Streif, Davide Vodola
Publikováno v:
New Journal of Physics, Vol 26, Iss 3, p 033022 (2024)
Quantum-enhanced auxiliary field quantum Monte Carlo (QC-AFQMC) uses output from a quantum computer to increase the accuracy of its classical counterpart. The algorithm requires the estimation of overlaps between walker states and a trial wavefunctio
Externí odkaz:
https://doaj.org/article/d302a3568d8a4e4b9fd1323368bef001
Autor:
Mark Steudtner, Sam Morley-Short, William Pol, Sukin Sim, Cristian L. Cortes, Matthias Loipersberger, Robert M. Parrish, Matthias Degroote, Nikolaj Moll, Raffaele Santagati, Michael Streif
Publikováno v:
Quantum, Vol 7, p 1164 (2023)
Over the past three decades significant reductions have been made to the cost of estimating ground-state energies of molecular Hamiltonians with quantum computers. However, comparatively little attention has been paid to estimating the expectation va
Externí odkaz:
https://doaj.org/article/b5713eaf215c45a69d569848ea645d5d
Autor:
Thomas E. O'Brien, Michael Streif, Nicholas C. Rubin, Raffaele Santagati, Yuan Su, William J. Huggins, Joshua J. Goings, Nikolaj Moll, Elica Kyoseva, Matthias Degroote, Christofer S. Tautermann, Joonho Lee, Dominic W. Berry, Nathan Wiebe, Ryan Babbush
Publikováno v:
Physical Review Research, Vol 4, Iss 4, p 043210 (2022)
While most work on the quantum simulation of chemistry has focused on computing energy surfaces, a similarly important application requiring subtly different algorithms is the computation of energy derivatives. Almost all molecular properties can be
Externí odkaz:
https://doaj.org/article/5cede1d0c45840d6b4389cabde88e8f9
Autor:
Matthias Loipersberger, Fionn D. Malone, Alicia R. Welden, Robert M. Parrish, Thomas Fox, Matthias Degroote, Elica Kyoseva, Nikolaj Moll, Raffaele Santagati, Michael Streif
Publikováno v:
Chemical Science. 14:3587-3599
Proposed quantum algorithm for accurate non-covalent interactions on noisy intermediate-scale quantum computers. Combining molecular wavefunctions from the quantum computing and classical post procressing using symmetry-adapted perturbation theory.
Externí odkaz:
https://explore.openaire.eu/search/publication?articleId=doi_________::e440f3ae1505d9fcaa4fca9962efc1d0
https://doi.org/10.1039/d2sc05896k
https://doi.org/10.1039/d2sc05896k
Autor:
Zsolt Majzik, Niko Pavliček, Manuel Vilas-Varela, Dolores Pérez, Nikolaj Moll, Enrique Guitián, Gerhard Meyer, Diego Peña, Leo Gross
Publikováno v:
Nature Communications, Vol 9, Iss 1, Pp 1-6 (2018)
Indeno[1,2-b]fluorene (IF) is an extremely reactive polycyclic conjugated hydrocarbon with antiaromatic character, thus it has not been detected to date. Here, the authors present the successful generation and characterisation of IF both on-surface a
Externí odkaz:
https://doaj.org/article/7fdcd0021e3f40f98dddff730abf1032
Autor:
Elica Kyoseva, Christofer S. Tautermann, Matthias Degroote, Clemens Utschig-Utschig, Michael Streif, Nikolaj Moll, Raffaele Santagati
Publikováno v:
Digitale Welt. 5:16-20
Externí odkaz:
https://explore.openaire.eu/search/publication?articleId=doi_________::a25a64569e28f5daebc8f135954d9ca3
https://doi.org/10.1007/s42354-021-0398-5
https://doi.org/10.1007/s42354-021-0398-5
Autor:
Lukas Z. Kastner, Dominik Peller, Thomas Buchner, Carmen Roelcke, Florian Albrecht, Nikolaj Moll, Jascha Repp, Rupert Huber
Publikováno v:
2022 47th International Conference on Infrared, Millimeter and Terahertz Waves (IRMMW-THz).
Externí odkaz:
https://explore.openaire.eu/search/publication?articleId=doi_________::042ab0b6fd63e0ce73bb29f186d0b86f
https://doi.org/10.1109/irmmw-thz50927.2022.9895583
https://doi.org/10.1109/irmmw-thz50927.2022.9895583
Autor:
Dominik Peller, Rupert Huber, Florian Albrecht, Thomas Buchner, Carmen Roelcke, Lukas Z. Kastner, Nikolaj Moll, Jascha Repp
Publikováno v:
Nature. 585:58-62
Scanning probe techniques can leverage atomically precise forces to sculpt matter at surfaces, atom by atom. These forces have been applied quasi-statically to create surface structures(1-7)and influence chemical processes(8,9), but exploiting local
Externí odkaz:
https://explore.openaire.eu/search/publication?articleId=doi_dedup___::7d1c65d46bdfcacc75813fa0870ce9a1
https://doi.org/10.1038/s41586-020-2620-2
https://doi.org/10.1038/s41586-020-2620-2