Prof. Laura Gagliardi at the University of Chicago Pritzker School of Molecular Engineering (UChicago PME) and Chemistry Department has developed a powerful new tool that harnesses electronic structure theories and machine learning to simulate transition metal catalytic dynamics with both accuracy and speed.

In Chaos, researchers in Istanbul develop a more efficient and flexible algorithm to model traffic. The model, which they call the data-driven macroscopic mobility model, relies on simple observations that city planners routinely collect, like how packed the streets are. The researchers tested their model on both synthetic benchmarks and real-world traffic data, and the faster simulation speeds and easier data requirements mean city planners may have the tools to design better, smarter cities.

Researchers at Kyushu University in Japan have developed a mathematical model that recreates the muscle movements of the esophagus that occur during swallowing. The model, reported in Royal Society Open Science, also replicates muscle dynamics seen in various esophageal motility disorders, revealing insights into their underlying causes and opening up new avenues for treatment.

In August 2017, the National Natural Science Foundation of China (NSFC) launched the Major Research Plan “Dynamic Modifications and Chemical Interventions of Biomacromolecules” (implementation period 2017–2025). Through interdisciplinary research that integrates chemistry, life sciences, medicine, mathematics, materials science, and information science, its aim is to develop specific labeling methods and detection techniques for dynamic chemical modifications of biomacromolecules, elucidate the recognition mechanisms and biological functions of dynamic modifications in the regulation of cellular traits, and discover potential drug targets and corresponding lead compounds related to dynamic biomacromolecular modifications. Since its establishment, this Major Research Plan has achieved significant progress and original results in many aspects such as the dynamic properties of biomacromolecular chemical modifications, regulatory mechanisms, and chemical interventions. Recently, members of the expert group, management group, and secretariat of the program collaborated to systematically review representative research achievements obtained since the program’s implementation, and jointly published a review article in CCS Chemistry. This review provides important references for promoting development in related frontier fields, as well as for the future trend of integration between chemistry, life sciences, and medicine.

Complex biological systems are more than the sum of their parts – their properties emerge from the dynamic interaction of their components, such as molecules or cells. PhD researchers now have the opportunity to develop their own theoretical perspective on these systems as part of an international Doctoral Network. A European consortium initiated by researchers from the University of Göttingen, the Max Planck Institute for Dynamics and Self-Organization (MPI-DS), and the University of Edinburgh has been awarded €4.5M by Marie Skłodowska-Curie Actions to coordinate the network. The network consists of twelve European universities and research centres along with a number of partners outside academia. It is coordinated by the University of Edinburgh.