Computational chemistry – Page 18
-
-
OpinionComputational chemistry: a virtual reality?
Computers are getting better at modelling chemistry. But there are still many challenges to overcome.
-
Research‘New era’ of designer proteins for medicines and materials
Platform computed thousands of stable designs for short proteins, up from two previous designs
-
ResearchHumans come out second best against efficient robot chemist
Chemists aren’t out of a job but the robot did perform well when it came to discovering and creating giant self-assembling structures
-
BusinessAmplifying intelligent drug design
This year’s Chemistry World Entrepreneur of the year is Andrew Hopkins of start-up Exscientia and the University of Dundee, UK
-
ResearchNeural network predicts bond energies like a pro
New computational method learns how to estimate bond energies as well as a trained synthetic chemist
-
ResearchScientists get charged up over titanium dioxide
Groups debate usefulness of conventional +4 titanium oxidation state compared to +2.5 charge state
-
ResearchAnion confounds expectations with its electron-loving nature
A boron cluster is the first example of a dipole-distinguishing electrophilic anion
-
NewsWill machine learning allow robots to take over?
How machines are adapting to solve chemical problems
-
-
ResearchNeural network provides accurate simulations without the cost
An efficient new computer brain can provide quick answers to computational chemistry problems
-
ResearchChiral molecules could recognise each other’s spin
Charge polarisation could provide an answer to how nature can distinguish mirror image molecules
-
-
ResearchAlgorithm on the nose when it comes to predicting molecules' smells
Crowdsourced model offers new insight into our sense of smell
-
PodcastThe Master Algorithm by Pedro Domingos – Book club
Driverless cars and bloodless wars are just two of the promises of machines that learn, the subject of this month’s podcast
-
ResearchFinding a synthetic nanoparticle in a haystack
New analytical approach can detect engineered nanoparticles in the environment
-
ResearchDrug binding simulations promise to get personal
Fast, reliable new molecular dynamic simulation methods set to speed up research are under investigation by GSK
-
PodcastHomo Deus by Yuval Noah Harari and our favourite books of 2016 – Book club
We review the bestseller, Homo deus and then the Chemistry World team discusses their favourite books of 2016
-
ResearchCutting edge chemistry in 2016
We take a look back at some highlights from last year’s chemical science research
-
PodcastBig Data: Does Size Matter? by Timandra Harkness – Book club
We are destined to become just a number in a big set of numbers. We discuss the benefits and drawbacks of this