Journal Club

Journal club is a presentation by the CCC group member covering several journal articles pertaining to a particular narrow (and often debated) topic and presented at the group seminar. You can browse and download our 1-slide journal clubs below.

Chemistry

Chiral phosphoric acid catalysis mechanism
High temperature superconductivity
Intramolecular dispersion​
Intermolecular covalent interactions
Many facets of aromaticity
​New types of chemical bonds
Reaction mechanisms
​Recent developments in ORR catalysis
​SOMO-HOMO inversion
Substituents effects on non-covalent interactions between aromatic systems​
​The Na•••B bond conundrum
​Ultrashort H•••H contacts
​Unconventional chirality

Methods

Challenges in modelling electrochemical energy materials
Non-adiabatic excited state dynamics with machine learning
Reproducibility in DFT

Machine learning

Deep learning – the death of physics-based kernel representations?
Escaping the curse of dimensionality
ML-based prediction of partial atomic charges
Text- and table-based language models that mine materials science literature
​The importance of data in chemistry
XAI methods in chemistry