Detecting stable adsorbates of (1S)-camphor on Cu(111) with Bayesian optimization

por Järvi, Jari, Rinke, Patrick, Todorović, Milica
Publicado 2020

Atomic structures, conformers and thermodynamic properties of 32k atmospheric molecules

por Besel, Vitus, Todorović, Milica, Kurtén, Theo, Rinke, Patrick, Vehkamäki, Hanna
Publicado 2023

Efficient Amino Acid Conformer Search with Bayesian Optimization

por Fang, Lincan, Makkonen, Esko, Todorović, Milica, Rinke, Patrick, Chen, Xi
Publicado 2021

Exploring the Conformers of an Organic Molecule on a Metal Cluster with Bayesian Optimization

por Fang, Lincan, Guo, Xiaomi, Todorović, Milica, Rinke, Patrick, Chen, Xi
Publicado 2023

First Principles Calculations on the Stoichiometric and Defective (101) Anatase Surface and Upon Hydrogen and H(2)Pc Adsorption: The Influence of Electronic Exchange and Correlatio...

por Martínez-Casado, Ruth, Todorović, Milica, Mallia, Giuseppe, Harrison, Nicholas M., Pérez, Rubén
Publicado 2019

Machine learning as a tool to engineer microstructures: Morphological prediction of tannin-based colloids using Bayesian surrogate models

por Jin, Soo-Ah, Kämäräinen, Tero, Rinke, Patrick, Rojas, Orlando J., Todorović, Milica
Publicado 2022

Protective Coating Interfaces for Perovskite Solar Cell Materials: A First-Principles Study

por Fangnon, Azimatu, Dvorak, Marc, Havu, Ville, Todorović, Milica, Li, Jingrui, Rinke, Patrick
Publicado 2022

Molecular Conformer Search with Low-Energy Latent Space

por Guo, Xiaomi, Fang, Lincan, Xu, Yong, Duan, Wenhui, Rinke, Patrick, Todorović, Milica, Chen, Xi
Publicado 2022

Deep Learning Spectroscopy: Neural Networks for Molecular Excitation Spectra

por Ghosh, Kunal, Stuke, Annika, Todorović, Milica, Jørgensen, Peter Bjørn, Schmidt, Mikkel N., Vehtari, Aki, Rinke, Patrick
Publicado 2019

Machine Learning: Deep Learning Spectroscopy: Neural Networks for Molecular Excitation Spectra (Adv. Sci. 9/2019)

por Ghosh, Kunal, Stuke, Annika, Todorović, Milica, Jørgensen, Peter Bjørn, Schmidt, Mikkel N., Vehtari, Aki, Rinke, Patrick
Publicado 2019

Atomic structures and orbital energies of 61,489 crystal-forming organic molecules

por Stuke, Annika, Kunkel, Christian, Golze, Dorothea, Todorović, Milica, Margraf, Johannes T., Reuter, Karsten, Rinke, Patrick, Oberhofer, Harald
Publicado 2020

Correlations among Stress Parameters, Meat and Carcass Quality Parameters in Pigs

por Dokmanovic, Marija, Baltic, Milan Z., Duric, Jelena, Ivanovic, Jelena, Popovic, Ljuba, Todorovic, Milica, Markovic, Radmila, Pantic, Srdan
Publicado 2015

Atomic species identification at the (101) anatase surface by simultaneous scanning tunnelling and atomic force microscopy

por Stetsovych, Oleksandr, Todorović, Milica, Shimizu, Tomoko K., Moreno, César, Ryan, James William, León, Carmen Pérez, Sagisaka, Keisuke, Palomares, Emilio, Matolín, Vladimír, Fujita, Daisuke, Perez, Ruben, Custance, Oscar
Publicado 2015