Paper accepted | Journal of Physics D: Applied Physics
Atomistic simulations of thermal conductivity in GeTe nanowires Yet…
Paper accepted | Molecular Systems Design & Engineering
Less may be more: an informed reflection on molecular descriptors for drug…
PhD Studentship now available! It’s all in the Structure: Transforming drug design by bringing together molecular simulations and machine learning
A PhD Studentship (to start in October 2020) is now available via the HETSYS…
Paper Published | MRS Bulletin
Harnessing Machine Learning Potentials to Understand the Functional Properties…
Paper accepted | Nature Methods
Promoting transparency and reproducibility in enhanced molecular simulations…
CMS 2019 - What a blast!
Eventually, it happened! The 6th Computational Molecular Science (a.k.a. CMS)…
PhD Studentship now available! A Game of Order Parameters - Calculating the Uncertainty of Crystal Nucleation Rates
A PhD Studentship (to start in October 2019) is now available via the HETSYS…
