Nikolaj Moll - Publications, H-index & Citations

Nikolaj Moll

boehringer ingelheim

36H指数

165论文数

1.0W被引数

收录论文 45

发表时间

Improving the Stability and Transferability of Effective ADMET Models by Adding Quantum Mechanical Descriptors 通过添加量子力学描述符提高有效ADMET模型的稳定性和可迁移性

Journal of Chemical Information and Modeling

IF5.3

2026-02-01

PREAI

Bose, Ashmita; Anselmetti, Gian-Luca R.; Degroote, Matthias; Moll, Nikolaj; Santagati, Raffaele; Streif, Michael; Weskamp, Nils; Tkatchenko, Alexandre

Improving the Runtime of Quantum Phase Estimation for Chemistry through Basis Set Optimization 通过基组优化改进量子相位估计的化学运行时

JOURNAL OF CHEMICAL THEORY AND COMPUTATION

IF5.5

2025-11-01

PREAI

Ollitrault, Pauline J.; Gonthier, Jerome F.; Rocca, Dario; Anselmetti, Gian-Luca; Degroote, Matthias; Moll, Nikolaj; Santagati, Raffaele; Streif, Michael

Reducing the Runtime of Fault-Tolerant Quantum Simulations in Chemistry through Symmetry-Compressed Double Factorization

JOURNAL OF CHEMICAL THEORY AND COMPUTATION

IF5.5

2024-05-24

OAAI

Rocca, Dario; Cortes, Cristian L.; Gonthier, JeromeF.; Ollitrault, Pauline J.; Parrish, Robert M.; Anselmetti, Gian-Luca; Degroote, Matthias; Moll, Nikolaj; Santagati, Raffaele; Streif, Michael

Estimation of Electrostatic Interaction Energies on a Trapped-Ion Quantum Computer

ACS CENTRAL SCIENCE

IF10.4

2024-03-26

OAAI

Ollitrault, 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

Improved Precision Scaling for Simulating Coupled Quantum-Classical Dynamics

PRX QUANTUM

IF11

2024-03-12

OAAI

Simon, Sophia; Santagati, Raffaele; Degroote, Matthias; Moll, Nikolaj; Streif, Michael; Wiebe, Nathan

Fault-Tolerant Quantum Algorithm for Symmetry-Adapted Perturbation Theory

PRX QUANTUM

IF11

2024-03-04

OAAI

Cortes, 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

Drug design on quantum computers

NATURE PHYSICS

IF18.4

2024-03-04

PREAI

Santagati, 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

Accurate non-covalent interaction energies on noisy intermediate-scale quantum computers via second-order symmetry-adapted perturbation theory

CHEMICAL SCIENCE

IF7.4

2023-01-01

OAAI

Loipersberger, Matthias; Malone, Fionn D.; Welden, Alicia R.; Parrish, Robert M.; Fox, Thomas; Degroote, Matthias; Kyoseva, Elica; Moll, Nikolaj; Santagati, Raffaele; Streif, Michael

Efficient quantum computation of molecular forces and other energy gradients 分子力及其他能量梯度的高效量子计算

PHYSICAL REVIEW RESEARCH

IF4.2

2022-12-26

OAAI

O'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

Towards the simulation of large scale protein-ligand interactions on NISQ-era quantum computers

CHEMICAL SCIENCE

IF7.4

2022-01-01

OAAI

Malone, Fionn D.; Parrish, Robert M.; Welden, Alicia R.; Fox, Thomas; Degroote, Matthias; Kyoseva, Elica; Moll, Nikolaj; Santagati, Raffaele; Streif, Michael

Quantum optimization using variational algorithms on near-term quantum devices 在近期量子设备上使用变分算法进行量子优化

QUANTUM SCIENCE AND TECHNOLOGY

IF5

2018-06-19

477

OAAI

Moll, 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

Studying an antiaromatic polycyclic hydrocarbon adsorbed on different surfaces

NATURE COMMUNICATIONS

IF15.7

2018-03-22

OAAI

Majzik, Zsolt; Pavlicek, Niko; Vilas-Varela, Manuel; Perez, Dolores; Moll, Nikolaj; Guitian, Enrique; Meyer, Gerhard; Pena, Diego; Gross, Leo

Atomic Force Microscopy for Molecular Structure Elucidation

ANGEWANDTE CHEMIE-INTERNATIONAL EDITION

IF16.9

2018-02-27

144

PREAI

Gross, Leo; Schuler, Bruno; Pavlicek, Niko; Fatayer, Shadi; Majzik, Zsolt; Moll, Nikolaj; Pena, Diego; Meyer, Gerhard

Synthesis and characterization of triangulene 三角烯的合成与表征

NATURE NANOTECHNOLOGY

IF34.9

2017-02-13

367

OAAI

Pavlicek, Niko; Mistry, Anish; Majzik, Zsolt; Moll, Nikolaj; Meyer, Gerhard; Fox, David J.; Gross, Leo

The Electric Field of CO Tips and Its Relevance for Atomic Force Microscopy CO尖端的电场及其与原子力显微镜的相关性

NANO LETTERS

IF9.1

2016-02-16

PREAI

Ellner, Michael; Pavlicek, Niko; Pou, Pablo; Schuler, Bruno; Moll, Nikolaj; Meyer, Gerhard; Gross, Leo; Perez, Ruben

Reversible Bergman cyclization by atomic manipulation

NATURE CHEMISTRY

IF20.2

2016-01-25

183

PREAI

Schuler, Bruno; Fatayer, Shadi; Mohn, Fabian; Moll, Nikolaj; Pavlicek, Niko; Meyer, Gerhard; Pena, Diego; Gross, Leo

On-surface generation and imaging of arynes by atomic force microscopy

NATURE CHEMISTRY

IF20.2

2015-07-13

172

PREAI

Pavlicek, Niko; Schuler, Bruno; Collazos, Sara; Moll, Nikolaj; Perez, Dolores; Guitian, Enrique; Meyer, Gerhard; Pena, Diego; Gross, Leo

Investigating atomic contrast in atomic force microscopy and Kelvin probe force microscopy on ionic systems using functionalized tips

PHYSICAL REVIEW B

IF3.7

2014-10-30

OAAI

Gross, Leo; Schuler, Bruno; Mohn, Fabian; Moll, Nikolaj; Pavlicek, Niko; Steurer, Wolfram; Scivetti, Ivan; Kotsis, Konstantinos; Persson, Mats; Meyer, Gerhard

Image Distortions of a Partially Fluorinated Hydrocarbon Molecule in Atomic Force Microscopy with Carbon Monoxide Terminated Tips

NANO LETTERS

IF9.1

2014-09-30

PREAI

Moll, Nikolaj; Schuler, Bruno; Kawai, Shigeki; Xu, Feng; Peng, Lifen; Orita, Akihiro; Otera, Junzo; Curioni, Alessandro; Neu, Mathias; Repp, Jascha; Meyer, Gerhard; Gross, Leo

Image correction for atomic force microscopy images with functionalized tips

PHYSICAL REVIEW B

IF3.7

2014-05-07

PREAI

Neu, M.; Moll, N.; Gross, L.; Meyer, G.; Giessibl, F. J.; Repp, J.

研究方向