Daniel C. Fredrickson

Professor of Chemistry, University of Wisconsin-Madison

[Taylor Sparks @taylordsparks]

Large language models and materials science! Folks requested this episode for a long time and it's out! We cover the LLM hackathon paper from @BenBlaiszik @ChristophVoelk2 @kmjablonka @andrewwhite01 and many others.
https://t.co/DotpLSCrbQ

[Fredrickson Lab, UW-Madison @Fredrickson_UW]

Check out our latest publication in @InorgChem! 🙌

[Fredrickson Lab, UW-Madison @Fredrickson_UW]

Atomic packing effects stabilize two polymorphs of IrIn3 in different ways: packing efficiency and vibrational entropy. DFT-CP reveals and anticipates these mechanisms for structural stability, which has consequences for the 18-n+m electronic configuration
https://t.co/klMkkfBdVD

[Fredrickson Lab, UW-Madison @Fredrickson_UW]

Thank you @KyanaSanders, Jonathan Van Buskirk, and @KatieHilleke for your amazing work on the updated DFT-CP method! 🎉

[Fredrickson Lab, UW-Madison @Fredrickson_UW]

In addition, we are excited to announce the release of CPpackage3! 🔥 Test out the latest implementation of the DFT-CP method! Everything you need can be found right here on the Fredrickson Group's GitHub: https://t.co/GC5j8pwjfR

[Fredrickson Lab, UW-Madison @Fredrickson_UW]

Introducing our latest update to the DFT-Chemical Pressure (CP) method implements iterative self-consistent treatments to derive ionicity and partitioning of the EEwald + Eα terms into homogeneous and localized terms. Check out our article in @JCIM_JCTC!🙌https://t.co/ygg7rVp3f6

[Inorganic Chemistry @InorgChem]

From atomic packing to T dependence: Lim @xamberlim and Fredrickson @Fredrickson_UW reveal how chemical pressure underlies the structures of IrIn3, their electronic structures, and enhanced entropy in the high-T polymorph. Check out the @InorgChem article: https://t.co/OOi7TnwXJm

[Fredrickson Lab, UW-Madison @Fredrickson_UW]

🔥🆕🔥We're excited to introduce the Intermetallic Reactivity Database, the first collection of calculations on intermetallics to include chemical pressures! Read more @ChemMater to see how we used IRD entries to provide insights on four separate systems! https://t.co/yWpjDGfQNr

[The Benzine @The_Benzine]

The Spring 2021 issue of The Benzine is out! We had over 40 contributions from talented Badger Chemists in 17 groups across the department. We're so excited to share them! Check it out here: https://t.co/rdPNtchsID

[Inorganic Chemistry @InorgChem]

New in @InorgChem: Molecular chemists are experts at using steric bulk to stabilize unusual electronic structures. In this article, the @Fredrickson_UW group demonstrates how similar ideas can apply to intermetallic phases. Please have a look: https://t.co/1EGcjNPz9x

[Fredrickson Lab, UW-Madison @Fredrickson_UW]

We took a little break this weekend to pick apples! Happy fall, scientists! 🍂🎃🍎

[UW-Madison Chemistry @UWMadisonChem]

"I use solid-state synthesis, crystallography, and electronic structure theory to study alloys and intermetallic compounds. I love how much is unknown about the electronics and bonding of intermetallic compounds - kind of like a character in a great mystery novel." #BlackInChem

[Fredrickson Lab, UW-Madison @Fredrickson_UW]

Magnetism in covalent bonds! See how these are intertwined in Mn2Hg5, and the theoretical approach that reveals them, in our latest article in @InorgChem: https://t.co/MS9p7rfFOp

[Fredrickson Lab, UW-Madison @Fredrickson_UW]

(3+2)D crystallography maybe required to solve the structure of Dy(Cu/Ga)3.71, but it can be understood in terms of forces familiar to all chemists: atomic size and e- count. Check it out @InorgChem! https://t.co/7TMV75SqeE

[Inorganic Chemistry @InorgChem]

Pleasurable reading in @InorgChem: a compelling study of a new modulated phase in the Dy-Cu-Ga system. The remarkable feature of this work is that Fredrickson et al arrived at the new phase by a thorough theoretical analysis prior to synthesis. https://t.co/klZ0bGUktd

[Fredrickson Lab, UW-Madison @Fredrickson_UW]

From a mysterious side product to a potential route to intermetallic nitrides: Check out of new communication in JASC to see more about the discovery and crystal structure of Mn39Si9Nx, featuring Drs. Gordon Peterson and Veronica Berns (@squirrelchomp): https://t.co/lLeCfFv6GT

[Fredrickson Lab, UW-Madison @Fredrickson_UW]

Congrats to Dr. Hillary Mitchell Warden (@HI_im_LLARY) on successfully defending her PhD! Hillary’s thesis defines the Frustrated and Allowed Structural Transitions (FAST) principle - w/ it, she creates structural treasure maps that led our group’s 1st foray into 5D superspace.

[Daniel C. Fredrickson @ProfFredrickson]

@BrgochChemistry Congratulations, Jakoah! That is fantastic news!

[Inorganic Chemistry @InorgChem]

A true mash-up of experiment and theory! Check out PdBi's temperature-dependent phase transitions--and then discover entropy's role in it all. The latest from @Fredrickson_UW and the Lidin group at @lunduniversity https://t.co/84ulNIZhRj