Publications
Recent A1 Articles Published online
Access to bio-renewable and CO2-based polycarbonates from exovinylene cyclic carbonates , , ACS Sustainable Chemistry & Engineering , Published online , 2021 , IF: 7.632 , Q1
A comparative study on the photophysical properties of anthocyanins and pyranoanthocyanins , , Chemistry - A European Journal , Published online , 2021 , IF: 4.857
Atomistic insight in the flexibility and heat transport properties of the stimuli-responsive metal-organic framework MIL-53(Al) for water-adsorption applications using molecular simulations , , Faraday Discussions , Published online , 2021 , IF: 3.797 , 5/159 [Q2]
The micromechanical model to computationally investigate cooperative and correlated phenomena in metal-organic frameworks , , Faraday Discussions , Published online , 2021 , IF: 3.797 , 59/159 [Q2]
Most recent A1 Publications
2021
Race against the Machine: can deep learning recognize microstructures as well as the trained human eye? , , Scripta Materialia , 193, 33-37 , 2021 , IF: 5.079
2020
Shape-selective C–H activation of aromatics to biarylic compounds using molecular palladium in zeolites , , Nature Catalysis , 3, 1002-1009 , 2020
N‐rich porous polymer with isolated Tb3+‐ions displays unique temperature dependent behavior through the absence of thermal quenching , , Chemistry - A European Journal , 26 (67), 15596-15604 , 2020 , IF: 5.160 , 37/172 [Q1]
Most recent talks
Invited talk
Ruling the free world - and other things computational chemistry can help you with , , JungChemikerForum Dortmund, Gesellschaft Deutscher Chemiker , online , Mon, 07/12/2020 Talk
The micromechanical model to computationally investigate cooperative and correlated phenomena in metal-organic frameworks , , Faraday Discussion on Cooperative Phenomena in Framework Materials , online , Thu, 15/10/2020 Invited talk
Atomistic insight in the flexibility and heat transport properties of the stimuli-responsive metal-organic framework MIL-53(Al) for water-adsorption applications using molecular simulations , , Cooperative phenomena in framework materials: Faraday Discussion , UK (online) , Tue, 13/10/2020 to Fri, 16/10/2020 Most recent conference posters
Stabilizing the perovskite phase of cesium lead iodide thin films via interfacial strains , , MolSim-2020: Understanding Molecular Simulation , Amsterdam, The Netherlands , Mon, 06/01/2020 to Fri, 17/01/2020
Construction of a Ready-To-Use Database to Enable Accurate High-Throughput Screenings of Covalent Organic Frameworks , , MolSim 2020 , Amsterdam, The Netherlands , Mon, 06/01/2020 to Fri, 17/01/2020
Ab initio modeling of the zeolite-catalyzed conversion of alkylphenols into phenol and olefins , , MolSim 2020 , Amsterdam, The Nederlands , Mon, 06/01/2020 to Fri, 17/01/2020