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Nikolaj Moll

boehringer ingelheim

36H-index
165Paper Count
1.0WCitation Count
Published Papers 45
Publication Date
Improving the Stability and Transferability of Effective ADMET Models by Adding Quantum Mechanical Descriptors
err2026-02-01
err0
PREAI
errBose, Ashmita; Anselmetti, Gian-Luca R.; Degroote, Matthias; Moll, Nikolaj; Santagati, Raffaele; Streif, Michael; Weskamp, Nils; Tkatchenko, Alexandre
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Improving the Runtime of Quantum Phase Estimation for Chemistry through Basis Set Optimization
err2025-11-01
err0
PREAI
errOllitrault, Pauline J.; Gonthier, Jerome F.; Rocca, Dario; Anselmetti, Gian-Luca; Degroote, Matthias; Moll, Nikolaj; Santagati, Raffaele; Streif, Michael
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Reducing the Runtime of Fault-Tolerant Quantum Simulations in Chemistry through Symmetry-Compressed Double Factorization
err2024-05-24
err5
errOAAI
errRocca, Dario; Cortes, Cristian L.; Gonthier, JeromeF.; Ollitrault, Pauline J.; Parrish, Robert M.; Anselmetti, Gian-Luca; Degroote, Matthias; Moll, Nikolaj; Santagati, Raffaele; Streif, Michael
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Estimation of Electrostatic Interaction Energies on a Trapped-Ion Quantum Computer
err2024-03-26
err2
errOAAI
errOllitrault, Pauline J.; Loipersberger, Matthias; Parrish, Robert M.; Erhard, Alexander; Maier, Christine; Sommer, Christian; Ulmanis, Juris; Monz, Thomas; Gogolin, Christian; Tautermann, Christofer S.; Anselmetti, Gian-Luca R.; Degroote, Matthias; Moll, Nikolaj; Santagati, Raffaele; Streif, Michael
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Improved Precision Scaling for Simulating Coupled Quantum-Classical Dynamics
err2024-03-12
err0
errOAAI
errSimon, Sophia; Santagati, Raffaele; Degroote, Matthias; Moll, Nikolaj; Streif, Michael; Wiebe, Nathan
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Fault-Tolerant Quantum Algorithm for Symmetry-Adapted Perturbation Theory
err2024-03-04
err4
errOAAI
errCortes, Cristian L.; Loipersberger, Matthias; Parrish, Robert M.; Morley-Short, Sam; Pol, William; Sim, Sukin; Steudtner, Mark; Tautermann, Christofer S.; Degroote, Matthias; Moll, Nikolaj; Santagati, Raffaele; Streif, Michael
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Drug design on quantum computers
err2024-03-04
err18
PREAI
errSantagati, Raffaele; Aspuru-Guzik, Alan; Babbush, Ryan; Degroote, Matthias; Gonzalez, Leticia; Kyoseva, Elica; Moll, Nikolaj; Oppel, Markus; Parrish, Robert M.; Rubin, Nicholas C.; Streif, Michael; Tautermann, Christofer S.; Weiss, Horst; Wiebe, Nathan; Utschig-Utschig, Clemens
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Accurate non-covalent interaction energies on noisy intermediate-scale quantum computers via second-order symmetry-adapted perturbation theory
err2023-01-01
err7
errOAAI
errLoipersberger, Matthias; Malone, Fionn D.; Welden, Alicia R.; Parrish, Robert M.; Fox, Thomas; Degroote, Matthias; Kyoseva, Elica; Moll, Nikolaj; Santagati, Raffaele; Streif, Michael
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Efficient quantum computation of molecular forces and other energy gradients
err2022-12-26
err25
errOAAI
errO'Brien, Thomas E.; Streif, Michael; Rubin, Nicholas C.; Santagati, Raffaele; Su, Yuan; Huggins, William J.; Goings, Joshua J.; Moll, Nikolaj; Kyoseva, Elica; Degroote, Matthias; Tautermann, Christofer S.; Lee, Joonho; Berry, Dominic W.; Wiebe, Nathan; Babbush, Ryan
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Towards the simulation of large scale protein-ligand interactions on NISQ-era quantum computers
err2022-01-01
err18
errOAAI
errMalone, Fionn D.; Parrish, Robert M.; Welden, Alicia R.; Fox, Thomas; Degroote, Matthias; Kyoseva, Elica; Moll, Nikolaj; Santagati, Raffaele; Streif, Michael
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Quantum optimization using variational algorithms on near-term quantum devices
err2018-06-19
err477
errOAAI
errMoll, Nikolaj; Barkoutsos, Panagiotis; Bishop, Lev S.; Chow, Jerry M.; Cross, Andrew; Egger, Daniel J.; Filipp, Stefan; Fuhrer, Andreas; Gambetta, Jay M.; Ganzhorn, Marc; Kandala, Abhinav; Mezzacapo, Antonio; Mueller, Peter; Riess, Walter; Salis, Gian; Smolin, John; Tavernelli, Ivano; Temme, Kristan
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Studying an antiaromatic polycyclic hydrocarbon adsorbed on different surfaces
err2018-03-22
err47
errOAAI
errMajzik, Zsolt; Pavlicek, Niko; Vilas-Varela, Manuel; Perez, Dolores; Moll, Nikolaj; Guitian, Enrique; Meyer, Gerhard; Pena, Diego; Gross, Leo
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Atomic Force Microscopy for Molecular Structure Elucidation
err2018-02-27
err144
PREAI
errGross, Leo; Schuler, Bruno; Pavlicek, Niko; Fatayer, Shadi; Majzik, Zsolt; Moll, Nikolaj; Pena, Diego; Meyer, Gerhard
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Synthesis and characterization of triangulene
err2017-02-13
err367
errOAAI
errPavlicek, Niko; Mistry, Anish; Majzik, Zsolt; Moll, Nikolaj; Meyer, Gerhard; Fox, David J.; Gross, Leo
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The Electric Field of CO Tips and Its Relevance for Atomic Force Microscopy
err2016-02-16
err78
PREAI
errEllner, Michael; Pavlicek, Niko; Pou, Pablo; Schuler, Bruno; Moll, Nikolaj; Meyer, Gerhard; Gross, Leo; Perez, Ruben
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Reversible Bergman cyclization by atomic manipulation
err2016-01-25
err183
PREAI
errSchuler, Bruno; Fatayer, Shadi; Mohn, Fabian; Moll, Nikolaj; Pavlicek, Niko; Meyer, Gerhard; Pena, Diego; Gross, Leo
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On-surface generation and imaging of arynes by atomic force microscopy
err2015-07-13
err172
PREAI
errPavlicek, Niko; Schuler, Bruno; Collazos, Sara; Moll, Nikolaj; Perez, Dolores; Guitian, Enrique; Meyer, Gerhard; Pena, Diego; Gross, Leo
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Investigating atomic contrast in atomic force microscopy and Kelvin probe force microscopy on ionic systems using functionalized tips
err2014-10-30
err59
errOAAI
errGross, Leo; Schuler, Bruno; Mohn, Fabian; Moll, Nikolaj; Pavlicek, Niko; Steurer, Wolfram; Scivetti, Ivan; Kotsis, Konstantinos; Persson, Mats; Meyer, Gerhard
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Image Distortions of a Partially Fluorinated Hydrocarbon Molecule in Atomic Force Microscopy with Carbon Monoxide Terminated Tips
err2014-09-30
err69
PREAI
errMoll, Nikolaj; Schuler, Bruno; Kawai, Shigeki; Xu, Feng; Peng, Lifen; Orita, Akihiro; Otera, Junzo; Curioni, Alessandro; Neu, Mathias; Repp, Jascha; Meyer, Gerhard; Gross, Leo
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Image correction for atomic force microscopy images with functionalized tips
err2014-05-07
err56
PREAI
errNeu, M.; Moll, N.; Gross, L.; Meyer, G.; Giessibl, F. J.; Repp, J.
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