The Posthumous Nobel Prize in Chemistry. Volume 2. Ladies in Waiting for the Nobel Prize Isabella Karle’s greatest contribution to crystallography was delivering the first experimental proofs that the mathematics developed by her husband Jerome Karle in tandem with Herbert Hauptman were, ...

Discussing #StructureSolution in Chem255, highlighting one of the key contributions of Isabella Karle: helping turn #DirectMethods into a practical tool for solving #CrystalStructures #IUCr 🔬 pubs.acs.org/doi/10.1021/...
@pubs.acs.org #Crystallography #Education

Promotional graphic with the abstract schematic of the BEST-CSP study.

This study benchmarks how well current computational methods predict different polymorphs of the drug sulfamerazine, highlighting why closely related polymorphs are especially hard to model, and how predictions can be improved.✔️

🔗 ccdc-info.com/4slabke

#CrystalStructures #CSP

FR : Un cube massif aux parois translucides se dresse dans un espace sombre, traversé par une ligne de lumière horizontale. Les reflets froids et les surfaces vitrées composent une structure énigmatique, comme un horizon enfermé dans le verre. EN : A massive translucent cube stands in a dark space, crossed by a bright horizontal line of light. Cold reflections and glasslike surfaces form an enigmatic structure, like an horizon sealed inside the glass.

The Horizon Locked Inside the Glass.

#Surréalisme #ArtAbstrait #NeoNoir #DigitalArt #MinimalFuturisme
#GeometricDesign #LightAesthetic #CrystalStructures #AtmosphericScenery #VisualWorldbuilding

Promotional graphic showing simulated powder patterns for CSD Entry AZELAC05, before and after optimization against an experimental powder diffractogram.

The new PXRD optimize functionality enables the use of AutoFIDEL within the Mercury GUI to optimize a crystal structure against an experimental powder pattern.

Use with routinely collected PXRD data in combination with CSP data to rapidly identify #CrystalStructures.

🔗 ccdc-info.com/3LQPnjI

Crystallography in school Preconditions and applications for teaching crystallography in high school chemistry classes are presented.

A great approach: "analysis of #CrystalStructures in science classes at #HighSchools offers a wide range of opportunities for illustrating and improving understanding of fundamental #StructuralChemistry concepts"😀 doi.org/10.1107/S160...
@japplcryst.iucr.org #K12 #crystallography #Education

Picture of Alex

I'm Alex, a PhD student in Julia Westermayr's group at Leipzig University since 2024, collaborating with Xiaodong Zou’s group at Stockholm University. I use machine learning to enhance electron diffraction data and refine crystal structures.
@alexanderfeige.bsky.social
#ML #ED #CrystalStructures

🗣️ SEMINARS 

Join us for this 𝐬𝐞𝐦𝐢𝐧𝐚𝐫 by Dr @stecanossa.bsky.social, from @ethzurich.bsky.social 

📆 17/02/2025
⏰ 12 PM 
📍 ICN2 Seminar Room
🔃 RT appreciated!
📝 Register here 👉 https://forms.office.com/e/qxApicB821

#MOFs #CrystalStructures

Research paper promotional graphic with a brickwork background showing the 3D structure of CSD refcode FURCUU.

In this new @pubs.acs.org Crystal Growth & Design article, researchers modify acenes by introducing methylthio groups at the end positions, causing a brickwork structure — one of the more promising #CrystalStructures of organic #SemiConductors for use in electronic devices.

🔗 ccdc-info.com/3E3iP25

Twisted crystals show hints of a new kind of superconductivity A double layer of tungsten diselenide behaves as a superconductor at very low temperatures, which could suggest a new route to developing materials that do so at room temperature

Twisted crystals show hints of a new kind of superconductivity #Science #Physics #CondensedMatterPhysics #Superconductivity #CrystalStructures #RoomTemperature

Promotional graphic showing three examples of particle surfaces calculated using Mercury.

🔶Understand the behaviour of your particle.

Learn how to identify potential slip planes in a crystal structure, perform an in-depth surface analysis, and calculate the preferred positions for interactions on a crystal surface.

🔗 ccdc-info.com/49vdf49

#Particles #CrystalStructures #ChemSky

Just 2 days left of #CSDWrapped!

Did you publish structures in the CSD this year? If so, don't miss out on getting your own personalized graphic showing your top stats for the year! #MoveOverSpotify

#ChemSky #CompChemSky #CrystalStructures #StructuralChemistry #SmallMolecules #Cheminformatics 🧪 🥽

Promotional graphic for the research publication showing a ball and stick representation of the structure with CSD refcode PUHFEH and some butterflies.

In this work, published in Angewandte Chemie earlier this year, rotaxanes incorporating calix[4]phyrin motifs were created, leading to the observation of a new molecular motion called fluttering 🦋.

🔗 t.co/O2FGJo6bRS

#CrystalStructures #ChemistryResearch #ChemSky #ChatChemistry 🧪

ChatGPT for crystallographers?! Very interesting approach! Try out the web application!

#LLM #crystalstructures

blog.materialis.ai/crystal-stru...