The final programme of the Computational Chemistry Days 2026. Invited speakers' names are written in italics. The programme and book of abstracts can be downloaded at the bottom of this page.
Monday, 25 May 2026
| 12:00 |
Registration opens |
| 12:30-12:35 |
Opening |
| 12:35-13:10 |
Ainara Nova (University of Oslo): Beyond Energy Profiles: Microkinetics in Homogeneous Catalysis |
| 13:10-13:30 |
Polina Artiushenko (University of Jyväskylä): Dynamic Protonation as a Missing Piece in Protein–Protein Binding Free Energy Calculations |
| 13:30-14:00 |
Golnaz Roudsari (Finnish Meteorological Institute): Molecular scale mechanism of water adsorption on copper oxide (CuO) surfaces |
| 14:00-14:30 |
Coffee & snack break |
| 14:30-15:00 |
Mikko Karttunen (University of Eastern Finland): How to discover physical behaviours from data using machine learning: Choosing proper molecular descriptors and metrics |
| 15:00-15:20 |
Rina Ibraginova (Aalto University): Transferable ML interatomic potentials: From applied materials to molecules in space |
| 15:20-15:40 |
Ouail Zakary (University of Oulu): Understanding Host-Guest Interactions in Type-II Porous Liquids using Machine Learning-Accelerated Molecular and NMR Parameters Simulations |
| 15:40-16:00 |
Perttu Lantto (University of Oulu): Modelling nuclear quantum effects in NMR using machine learning |
| 16:00-16:20 |
Break, photograph |
| 16:20-16:50 |
Anna Chichonska (Harmonic Discovery): Engineering Precision Pharmacology |
| 16:50-17:10 |
Maisa Vuorte (Tampere University): To Flip or to Flop: Probing Scramblase Selectivity via High-Throughput CG-MD Simulations |
| 17:10-17:30 |
Mario Mäkinen (Aalto University): A computational approach to investigate adsorption on polar metal oxide surfaces: a DFT study of hydrogen peroxide adsorption on ALD-fabricated ZnO(002) |
| 17:30-19:00 |
Poster session & refreshments |
Tuesday, 26 May 2026
| 9:00-9:30 |
Siddharth Iyer (Tampere University): Role of excess energy in atmospheric oxidation pathways key to aerosol formation |
| 9:30-9:50 |
Noora Aho (Tampere University): Investigating long-chain free fatty acid protonation in membranes using molecular dynamics simulations |
| 9:50-10:10 |
Susi Lehtola (University of Helsinki): Recent developments in non-Born-Oppenheimer calculations |
| 10:10-10:30 |
Biswarup Biswas (University of Turku): Optical Properties of Defects in Amorphous Phase-Change Memory Materials |
| 10:30-11:00 |
Coffee & snack break |
| 11:00-11:30 |
Dage Sundholm (University of Helsinki): Magnetically Induced Current Densities and Nuclear Magnetic Shielding Tensors |
| 11:30-12:00 |
Akseli Mansikkamäki (University of Oulu): Merging Lanthanide Molecules and Magnets |
| 12:00-12:20 |
Emmi Pohjalainen (University of Jyväskylä): Molecular Dynamics–Guided Binding-Site Prediction for Studying Nanocluster–Biomolecule Interactions |
| 12:20-12:30 |
Closing & best poster prize award |