The constant urge to construct new molecules in an economical and sustainable fashion led to the development of numerous metal-catalyzed transformations. Organocatalysts consisting of abundant and more sustainable elements offer an elegant solution to over ...
In the field of electrochemical CO2 reduction, both continuum models and molecular dynamics (MD) models have been used to understand the electric double layer (EDL). MD often focuses on the region within a few nm of the electrode, while continuum models ca ...
Formally verifying the correctness of software is necessary to merit the trust people put in software systems. Currently, formal verification requires human effort to prove that a piece of code matches its specification and code changes to improve verifiab ...
A hybrid photothermal catalytic system, which combines both the photochemical (light) and thermal (heat) activation pathways over a bifunctional catalyst, has demonstrated remarkable levels of reaction activity and selectivity when compared with individual ...
Data races have long been a notorious problem in concurrent programming. They are subtle to detect, and lead to non-deterministic behaviours. There has been a lot of interest in type systems that statically guarantee data race freedom. Significant progress ...
Edible robots and robotic food — edible systems that perceive, process and act upon stimulation — could open a new range of opportunities in health care, environmental management and the promotion of healthier eating habits. For example, they could enable ...
The design and discovery of potential novel materials is critical for the advancement of climate change mitigation technologies. In this respect, metal-organic frameworks (MOFs) have received considerable attention over the last two decades. The combinatio ...
Molecular quantum dynamics simulations are essential for understanding many fundamental phenomena in physics and chemistry. They often require solving the time-dependent Schrödinger equation for molecular nuclei, which is challenging even for medium-sized ...
Pt(II)-based molecular catalysts stand as a prototypical system in hydrogen evolution reactions (HER) owing to their consistently elevated activity levels. Their integration into heterogeneous systems thus provides an ideal platform to develop catalytic ma ...
