Can one water molecule change the conformation of a peptide? Vibrational spectroscopy in the gas-phase is the perfect technique to answer this question.
We have always been told that do not compare apples and oranges! They are completely different! Well a mathematical theory based on surface of material finds them similar. This theory applied by physicists in materials research has discovered new exotic phase of matter called topological materials. In this article, learn about the unique nature of this exotic phase, approaches to make these materials and their wide-spread applications.
Researchers have developed a database that allows us to predict undiscovered structures based on chemical reactivity rules and existing structures. While still in early stages, this is a huge step towards successful structural prediction!
We have been trained to be adaptive to our environment in our daily life. Same for chemists to train computers to model atoms. Let’s look at how chemists make functions adaptive to different situations!
Computational chemistry is much more than computers and chemistry! Let’s have a brief tour in the world of computational chemistry!
Machine learning? Deep neural networks? Find out how advances in artificial intelligence could help scientists discover new materials.
In this article, explore the tiny molecules that could be used for computational work in future of smartphones! Inspired by your own body, machines made from molecules could be the next generation of computers!
How much do you look beyond the top few rows of elements in the periodic table? Prepare to do just that in today’s chembite as we explore some astatine chemistry!
In today’s Chembite we appreciate and explore some remarkable mechanistic aspects of the hydrogenation of CO at a nickel surface. The paper covered gives the first account of catalytic methanol and formaldehyde production from CO by Ni. But to explain why we need to go deeper than the surface…
Title: Materials Synthesis Insights from Scientific Literature via Text Extraction and Machine Learning Authors: Edward Kim, Kevin Huang, Adam Saunders, Andrew McCallum, Gerbrand Ceder, and Elsa Olivetti Year: 2017 Journal: Chemistry of Materials The sheer volume of publications makes scientific literature a vast sea of information…
This work shows that bicarbonate (HCO3-) is neither a general acid nor a reaction partner in the rate-limiting step of electrochemical CO2 reduction catalysis mediated by planar polycrystalline Au surfaces. Kinetic modeling studies and electrochemical experiments suggest that it acts as a proton donor in steps past the rate-limiting one and a buffer in the solution.
As versatile as enzymes already are, it’s actually possible to engineer enzymes to catalyze reactions that are entirely new to nature!
What does machine learning have to do with chemistry? Let’s have a look at computation x chemistry today!
If you want to know about a molecule without chemicals, now you can without entering a lab. In this article, let us explore how computational power can benefit our understanding of molecules!