Aqueous speciation of polyoxometalates

AMS2021: automatic reaction pathways, new excited state functionality

Graphical user interface for AMS2020 | live Q&A

New in AMS2020: QM/MM, G0W0, ML Potentials | live Q&A

Tips & tricks: faster PES and TS searches

Accelerated ReaxFF simulations of biodegradation of polymers

Photochemical water oxidation by uranyl nitrate

Solid electrolyte interface formation in lithium-ion batteries with ReaxFF

Double hybrids: recommendations for accurate thermochemistry & kinetics

Unraveling structure and reactivity of Pt complexes: NMR & EPR