The MolMod Lectures 2022-2023

The MolMod Lectures are a series of research-informed on-line and/or hybrid tutorials initiated in 2022 and focused on topics related to Molecular Modeling in Chemistry and Biochemistry. This series of lectures is an extension of the homonymous conference series and MSc programme hosted by the Babeș-Bolyai University (UBB) via its Faculty of Chemistry and Chemical Engineering (FCIC) since 2007.
The online and hybrid events will take place on the Microsoft Teams platform at UBB

Target audience

The expected target will be the students registered for the MolMod MSc programme at UBB, as well as the general audience typically found at the MolMod conference series.




  • The MolMod Lectures

  • Schedule
  • 28.10.2022 10.00-11.00

    Vlad Cojocaru

    Visualizing transcription factors on genomic DNA with the computational nanoscope
    Faculty of Chemistry and Chemical Engineering room 97 (on-site event)
  • 31.10.2022 16.00-17.00

    Valera Veryazov

    Molcas and OpenMolcas: opensource software development in computational chemistry
    Faculty of Chemistry and Chemical Engineering room 48 (on-site event)
  • 01.11.2022 12.00

    Valera Veryazov

    Basis set and model potentials development: applications in materials science
    Iustinian Petrescu Amphitheatre at the "Raluca Ripan" Institute for Research in Chemistry (on-site event)
  • 04.11.2022 10.00

    Valera Veryazov

    Electron correlation and how to handle it with Molcas
    Interdisciplinary Research Institute on Bio-Nano-Sciences (on site event)
  • 12.11.2022 12.00-16:00

    Alexandru Lupan

    Modeling cluster systems: practical considerations
    Faculty of Chemistry and Chemical Engineering room 101 (on-site event)
  • 14.11.2022 14.00-16.00

    Octav Caldararu

    AI/ML in peptide drug design
    online
  • 21.11.2022 17.00-18.00

    Joaquin Barroso

    Expanding the genetic code from base four to base six: The search for new nucleotides
    online and live in room 48 at the Faculty of Chemistry and Chemical Engineering
  • 25.11.2022 10.00-14.00

    Dragos Horvath

    Docking for drug design
    Faculty of Chemistry and Chemical Engineering (on-site event) room 133A
  • 28.11.2022 16.00-20.00

    Dragos Horvath

    Docking for drug design
    Faculty of Chemistry and Chemical Engineering (on-site event) room 48/129
  • 29.11.2022 16.00-20.00

    Dragos Horvath

    Docking for drug design
    Faculty of Chemistry and Chemical Engineering (on-site event) room 133A
  • 30.11.2022 10.00-14.00

    Dragos Horvath

    Docking for drug design
    Faculty of Chemistry and Chemical Engineering (on-site event) room 133A
  • 05.12.2022 15.30-17.00 și 18.00-20.00

    Istvan Horvath

    Modeling Molecular Shape
    Faculty of Chemistry and Chemical Engineering (on-site event) room 48/129
  • 06.12.2022 10.00-12.00

    Istvan Horvath

    Design of self-assembling mesoscopic polyhedra
    Faculty of Chemistry and Chemical Engineering (on-site event) room 132
  • 06.12.2022 16.00-18.00

    Paul Nicu

    Applied Computational Spectroscopy (based around the Amsterdam Density Functional (ADF) program)
    online
  • 07.12.2022 16.00-18.00

    Paul Nicu

    Applied Computational Spectroscopy (based around the Amsterdam Density Functional (ADF) program)
    online
  • 09.12.2022 15.00-17.00

    Gabriel Katona

    Applied Topology
    Faculty of Chemistry and Chemical Engineering (on-site event) room 133A
  • 12.12.2022 16.00-18.00

    Paul Nicu

    Applied Computational Spectroscopy (based around the Amsterdam Density Functional (ADF) program)
    online
  • 14.12.2022 16.00-18.00

    Paul Nicu

    Applied Computational Spectroscopy (based around the Amsterdam Density Functional (ADF) program)
    online
  • 19.12.2022 16.00-18.00

    Paul Nicu

    Applied Computational Spectroscopy (based around the Amsterdam Density Functional (ADF) program)
    online
  • 20.12.2022 16.00-18.00

    Fanica Cimpoesu

    A bird’s eye view on computational approaches to electronic structure
    online
  • 21.12.2022 12.00-14.00

    Fanica Cimpoesu

    Quantum chemistry, a century after the birth of quantum mechanics
    online
  • 21.12.2022 16.00-18.00

    Paul Nicu

    Applied Computational Spectroscopy (based around the Amsterdam Density Functional (ADF) program)
    online
  • 09.01.2023 16.00-18.00

    Paul Nicu

    Applied Computational Spectroscopy (based around the Amsterdam Density Functional (ADF) program)
    online
  • 12.01.2023 10.00-12.00

    Peter Szalay

    Correlated Electronic Structure methods (1)
    online
  • 12.01.2023 14.00-16.00

    Octav Caldararu

    Dynamics in protein crystal structures
    online
  • 13.01.2023 10.00-12.00

    Csaba L. Nagy

    Autodock tutorial
    Faculty of Chemistry and Chemical Engineering (on-site event) room 133A
  • 16.01.2023 16.00-18.00

    Paul Nicu

    Applied Computational Spectroscopy (based around the Amsterdam Density Functional (ADF) program)
    online
  • 18.01.2023 12.00-14.00

    Marilena Ferbinteanu

    New keys for old keywords. Updated qualitative paradigms: hybridization, aromaticity, isolobality, electron count schemes
    online
  • 19.01.2023 10.00-12.00

    Peter Szalay

    Correlated Electronic Structure methods (2)
    online
  • 20.01.2023 16.00-18.00

    Adrian MV Branzanic

    Exchange interactions in biochemistry - Part 1
    online
  • 10.02.2023 16.00-18.00

    Adrian MV Branzanic

    Exchange interactions in biochemistry - Part 2
    online
  • 24.02.2023 16.00-18.00

    Dragos - Lucian Isac

    Exploring excited states in organic chemistry
    online
  • 10.03.2023

    Mihai V. Putz

    (Post)Modern Theory of Chemical Reactivity
    online
  • 11.03.2023

    Mihai V. Putz

    (Post)Modern Theory of Chemical Reactivity
    online
  • 13.03.2023, 16.00-18.00

    Fanica Cimpoesu

    Computational molecular magnetism and beyond. Exchange and spin-orbit coupling and other ingredients
    online
  • 20.03.2023 16.00-18.00

    Marilena Ferbinteanu

    Symmetry and molecular structure
    online
  • 27.03.2023 16.00-18.00

    Marilena Ferbinteanu

    Ligand Field theory. An evergreen field
    online
  • 03.04.2023 16.00-18.00

    Zoe Cournia

    Predicting protein-membrane interfaces with molecular simulations and machine learning
    online
  • 10.04.2023 16.00-18.00

    Andreas Savin

    Extracting chemical information from the wave function
    online
  • 03.05.2023 14.00-16.00

    Martin Srnec

    Theoretical basis of chemical reactivity
    online
  • 04.05.2023 14.00-16.00

    Martin Srnec

    Non-traditional concepts in chemical reactivity
    online
  • 09.05.2023 12.00-13.30

    Wojciech Grochala

    Chemical capacitor - and what it brings to chemistry and physics
    online
  • 24.05.2023 16:00-18:00

    Henning Henschel

    Free energy perturbation and applications in drug development
    online
  • 24.05.2023 14:00-16:00

    Romuald Poteau and Stella Christodoulou

    Data science and machine learning for chemists. Lectures and hands-on sessions in Python (part 1)
    Faculty of Chemistry and Chemical Engineering (on-site event - room 133A)
  • 25.05.2023 09:00-14:00

    Romuald Poteau and Stella Christodoulou

    Data science and machine learning for chemists. Lectures and hands-on sessions in Python (part 2)
    Faculty of Chemistry and Chemical Engineering (on-site event - room 133A)
  • 26.05.2023 09:00-14:00

    Romuald Poteau and Stella Christodoulou

    Data science and machine learning for chemists. Lectures and hands-on sessions in Python (part 3)
    Faculty of Chemistry and Chemical Engineering (on-site event - room 133A)
  • Invited speakers

  • Joaquin Barroso National Autonomous University of Mexico UNAM

  • Adrian MV Branzanic Babes-Bolyai University

  • Octav Caldararu Zealand Pharma, Copenhagen

  • Stella Christodoulou University of Toulouse

  • Fanica Cimpoesu Institute for Physical Chemistry, Bucharest

  • Vlad Cojocaru University of Utrecht, STAR-UBB Institute at the Babes-Bolyai University

  • Zoe Cournia Biomedical Research Foundation, Academy of Athens

  • Marilena Ferbinteanu University of Bucharest

  • Wojciech Grochala University of Warsaw

  • Henning Henschel Uppsala University

  • Dragos Horvath University of Strasbourg

  • Istvan Horvath Provitam Foundation, Sfantu Gheorghe

  • Dragos - Lucian Isac Petru Poni Institute of Macromolecular Chemistry of the Romanian Academy, Iasi

  • Gabriel Katona Babes-Bolyai University

  • Alexandru Lupan Babes-Bolyai University

  • Csaba L. Nagy Babes-Bolyai University

  • Paul Nicu Provitam Foundation, Sibiu

  • Romuald Poteau University of Toulouse

  • Mihai V. Putz West University of Timisoara

  • Andreas Savin Sorbonne University

  • Martin Srnec The Czech Academy of Sciences

  • Peter G. Szalay Eotvos Lorand University ELTE, Budapest

  • Valera Veryazov Lund University, Advanced Research Fellow of the STAR-UBB Institute at the Babes-Bolyai University

Contact/organizers

For any inquieries, please send an email to Prof. Radu Silaghi-Dumitrescu

radu.silaghi@ubbcluj.ro


Our Location

11 Arany Janos Street,

RO-400028, Cluj-Napoca, Romania

Call: +40-264-593833

Fax: +40-264-590818