Özkiliç, Y.; Stein, M.: Umbrella sampling identification of the elusive 'out' conformational state of kynurenine 3-monooxygenase. 36th Molecular Modelling Workshop, Erlangen, Germany (2024)

Stein, M.; Jameel, F.: The many roles and choice of solvents in homogeneous sustainable catalysis. 9th EuChemS – Chemistry Congress, Dublin, Ireland (2024)

Jameel, F.; Stein, M.: Solvent Design for Green Homogeneous multi-phase Industrial Reactions. European Conference on Computational and Theoretical Chemistry (CompChem 2023), Thessaloniki, Greece (2023)

Joshi, M.; Stein, M.: Electrocatalytic Hydrogen Production Using Transition Metal−based Molecular Catalysts. Bunsen-Tagung 2023 - Physical Chemistry of the Energy Transition / 122nd Annual Conference of the German Bunsen Society for Physical Chemistry, Berlin, Germany (2023)

Kumar, R.; Stein, M.: Oxidizing Ni or Fe in the Glutamate Coordinated O2-Tolerant (NiFe)-Hydrogenase: Broken-Symmetry DFT Exploration. 6th Quantum Bio-Inorganic Chemistry Conference, Warsaw, Poland (2023)

Stein, M.: Bio-inspired Catalysis and Therapeutics. 6th Quantum Bio-Inorganic Chemistry Conference, Warsaw, Poland (2023)

Stein, M.: Non-Covalent Interactions in Organic and Organometallic Crystals. Dalton 2023, Coventry, United Kingdom (2023)

Stein, M.; Díaz Mirón, J. E. Z.: Non-covalent Interactions in Organometallic Crystals. Intermolecular Interactions and Properties of Gases, Liquids and Solids, Graz, Austria (2023)

Stein, M.; Schulze-Niemand, E.; Ilter, M.; Naumann, M.: Control and regulation of NF-κB signaling by deubiquitinylases. EU COST Action ProteoCure Annual Meeting, Zagreb, Croatia (2023)

Ilter, M.; Schulze-Niemand, E.; Naumann, M.; Stein, M.: Conformational Transitions in the Catalytic Cycle of Cezanne-1. 17th German Conference on Cheminformatics and EuroSAMPL Satellite Workshop, Garmisch-Partenkirchen, Germany (2022)

Jameel, F.; Stein, M.: The multitude of roles of solvent in homogeneous catalysis. ACS Fall Meeting, Chicago, IL, USA (2022)

Stein, M.: Screening, identification and targeting of active molecules. First annual meeting of ProteoCure, Ljubljana, Slovenia (2022)

Stein, M.; Boz, E.; Heimsaat, M.: Non-Covalent Interactions in Molecular Receptors and Crystals. Bunsen-Tagung 2022 - Understanding Dispersion Interactions in Molecular Chemistry, Giessen, Germany (2022)

Stein, M.; Boz, E.; Yalçin-Özkat, G.: Accurate Receptor-Ligand Binding Free Energies from Fast QM Conformational Chemical Space Sampling. 17th German Conference on Cheminformatics and EuroSAMPL Satellite Workshop, Garmisch-Partenkirchen, Germany (2022)

Stein, M.; Boz, E.: QM calculated free energies of binding of macromolecular ligand-receptor complexes. ACS Spring Meeting 2021, virtual (2021)

Stein, M.; Melnikov, S.: The Liquid Structure and Dynamics of CO2 Sequestration in Aqueous Alkanolamine Solutions. 4th Indo-German workshop on “Advances in Materials, Reactions & Separation Processes”, Berlin, Germany (2020)

Stein, M.: Electrostatics of molecular interactions. School on molecular computational biochemistry at , Krakow, Poland (2019)

Stein, M.: The rate and routes of electron transfer in an enzymatic fuel cell. ICH2019 - 12th International Conference on Hydrogenases, Lisbon, Portugal (2019)

Stein, M.; Melnikov, S.: The Liquid Structure and Dynamics of CO2 Sequestration in Aqueous Alkanolamine Solutions. Bunsentagung 2019 - 118th Genaral Assembly of the German Bunsen Society for Physical Chemistry, Jena, Germany (angenommen)

Stein, M.: The rates and routes of electron transfer in an enzymatic fuel cell. International Conference on Catalysis and Surface Chemistry 2018, Kraków, Poland (2018)