The power of modern computation allows us to decipher the mysteries of how molecules behave. Theory and simulation allow us to harness huge amounts of data collected on chemical, biological and physical systems and build predictive models. Computational chemists apply these models to design new materials, cure human disease and preserve our environment.
Kulik paper published in Nature Computational Science
The paper, A transferable recommender approach for selecting the best density functional approximations in chemical discovery, was published on 12/22/22.
