Stosiek, M.;Evers, F.;Burmistrov, I. S.
Multifractal correlations of the local density of states in dirty superconducting films
Physical Review Research 2021-11
2021
3
4

Fang, Lincan;Makkonen, Esko;Todorović, Milica;Rinke, Patrick;Chen, Xi
Efficient Amino Acid Conformer Search with Bayesian Optimization
Journal of Chemical Theory and Computation 2021-02
2021
17
3
1955-1966

Seidu, Azimatu;Dvorak, Marc;Rinke, Patrick;Li, Jingrui
Atomic and electronic structure of cesium lead triiodide surfaces
The Journal of Chemical Physics 2021-02
2021
154
7

Ibragimova, Rina;Erhart, Paul;Rinke, Patrick;Komsa, Hannu-Pekka
Surface Functionalization of 2D MXenes: Trends in Distribution, Composition, and Electronic Properties
The Journal of Physical Chemistry Letters 2021-03
2021
12
9
2377-2384

Bruneval, Fabien;Rodriguez-Mayorga, Mauricio;Rinke, Patrick;Dvorak, Marc
Improved One-Shot Total Energies from the Linearized GW Density Matrix
Journal of Chemical Theory and Computation 2021-03
2021
17
4
2126-2136

Makkonen, Esko;Rossi, Tuomas P.;Larsen, Ask Hjorth;Lopez-Acevedo, Olga;Rinke, Patrick;Kuisma, Mikael;Chen, Xi
Real-time time-dependent density functional theory implementation of electronic circular dichroism applied to nanoscale metal–organic clusters
The Journal of Chemical Physics 2021-03
2021
154
11

Kumar, Avijit;Banerjee, Kaustuv;Ervasti, Mikko M.;Kezilebieke, Shawulienu;Dvorak, Marc;Rinke, Patrick;Harju, Ari;Liljeroth, Peter
Electronic Characterization of a Charge-Transfer Complex Monolayer on Graphene
ACS Nano 2021-05
2021
15
6
9945-9954

Stuke, Annika;Rinke, Patrick;Todorović, Milica
Efficient hyperparameter tuning for kernel ridge regression with Bayesian optimization
Machine Learning: Science and Technology 2021-06
2021
2
3
035022

Wang, Yanyong;Rinke, Patrick;Ren, Xinguo
Assessing the G₀W₀Γ₀⁽¹⁾ Approach: Beyond G₀W₀ with Hedin’s Full Second-Order Self-Energy Contribution
Journal of Chemical Theory and Computation 2021-07
2021
17
8
5140-5154

Järvi, Jari;Alldritt, Benjamin;Krejčí, Ondřej;Todorović, Milica;Liljeroth, Peter;Rinke, Patrick
Integrating Bayesian Inference with Scanning Probe Experiments for Robust Identification of Surface Adsorbate Configurations
Advanced Functional Materials 2021-05
2021
31
32