output
20202022
most citedPredicting binding motifs of complex adsorbates using machine learning with a physics-inspired graph representation

53 citations

18 papers

physics.chem-ph2022★ 26 cited

Selectivity Trends and Role of Adsorbate-Adsorbate Interactions in CO Hydrogenation on Rhodium Catalysts

Martin Deimel, Hector Prats, Michael Seibt +2

Predictive-quality computational modeling of heterogeneously catalyzed reactions has emerged as an important tool for the analysis and assessment of activity and activity trends. I…

quant-ph2022★ 10 cited

Interaction of quantum systems with single pulses of quantized radiation

Victor Rueskov Christiansen, Alexander Holm Kiilerich, Klaus Mølmer

The interaction of a propagating pulse of quantum radiation with a localized quantum system can be described by a cascaded master equation with a distinct initially populated input…

quant-ph2022★ 31 cited

Manipulating synthetic gauge fluxes via multicolor dressing of Rydberg-atom arrays

Xiaoling Wu, Fan Yang, Shuo Yang +4

Arrays of highly excited Rydberg atoms can be used as powerful quantum simulation platforms. Here, we introduce an approach that makes it possible to implement fully controllable e…

physics.chem-ph2022★ 53 cited

Predicting binding motifs of complex adsorbates using machine learning with a physics-inspired graph representation

Wenbin Xu, Karsten Reuter, Mie Andersen

Computational screening in heterogeneous catalysis relies increasingly on machine learning models for predicting key input parameters due to the high cost of computing these direct…

quant-ph2022★ 5 cited

Quantum non-demolition measurements of moving target states

A. L. Andersen, K. Mølmer

We present a protocol for probing the state of a quantum system by its resonant coupling and entanglement with a meter system. By continuous measurement of a time evolving meter ob…

quant-ph2021★ 3 cited

Microscopic dynamics and an effective Landau-Zener transition in the quasi-adiabatic preparation of spatially ordered states of Rydberg excitations

A. F. Tzortzakakis, D. Petrosyan, M. Fleischhauer +1

We examine the adiabatic preparation of spatially-ordered Rydberg excitations of atoms in finite one-dimensional lattices by frequency-chirped laser pulses, as realized in a number…