Physical chemistry – Page 6
-
WebinarData-driven materials innovation: where machine learning meets physics
Speed up materials innovation, save time & cost by leveraging a combination of physics-based simulations and chemistry-informed machine learning
-
ResearchMoiré materials stretch their scope
More boundaries crumble following the latest flutter of results
-
WebinarIntroducing Azure Quantum Elements: accelerating scientific discovery
Learn how to accelerate discovery in chemistry and materials science by integrating the latest breakthroughs in HPC, AI and quantum computing
-
-
ResearchNew understanding of why supercooled water droplets sometimes explode when they freeze
Imaging experiments with thousands of observations help scientists detail complex freezing process
-
OpinionBeyond the ChatGPT hype
Large language models can be powerful tools for chemistry if we acknowledge their limits
-
ResearchChatGPT predicts synthesis conditions for MOFs
Accessible AI tool can assess multitude of protocols for making new porous materials
-
ResearchA giant leap for ‘quantum superchemistry’
Ultracold atoms can undergo chemical reactions all at once
-
OpinionShape is not enough to distinguish life from abiotic systems
No morphological differences between living and non-living systems are yet known
-
ResearchVacuum-field catalysis could change chemistry – but reproducibility concerns linger
Excitement about light–matter coupling results, tempered by lack of agreed-upon mechanism and difficulties reproducing results
-
OpinionNavigating the literature torrent
It’s humanly impossible to filter and read everything worthwhile – let’s embrace assistance
-
Research86-year old Hammett equation gets a machine learning update
Algorithm opens the door to improved understanding of aromatic substituent effects
-
WebinarUsing crystallographic structures & data-driven solutions to advance drug design
The recording for this webinar is now available directly via the CCDC website – see below for details
-
ResearchFluorinated ligands stabilise perovskite solar cells
Findings offer new insight into how coatings interact with perovskites
-
ResearchCrystal structure prediction tool a ‘significant and thought-provoking advance’
Algorithm needs just the chemical formula to find the ground state of a crystalline compound
-
ResearchVan der Waals crust behind simple parameter that can describe chemical bonds
Penetration index provides a fresh perspective on two-atom interactions
-
ResearchAI can suggest Covid-19 antivirals from protein sequence alone
IBM model can also find molecules that bind at different sites on target proteins
-
CareersWorking at the forefront of AI
Petrina Kamya’s curiosity has led her across sectors to become a leader in drug discovery
-
-
ResearchHalf-century quest to create stable beryllium–beryllium bond ends in success
Organoberyllium sandwich compound should provide answers to questions first posed a century ago