In a groundbreaking effort published in Nature Reviews Chemistry, over 40 scientists, including Professor Laura Gagliardi, have offered a roadmap for a US perspective on closing the carbon cycle to defossilize difficult-to-electrify segments of our economy.

nature.com/articles/s4157…

Molecular orbitals are useful in chemistry. We propose a deep learning method to assign labels to orbitals, including energies. Archived a preliminary version of a paper chemrxiv.org/engage/chemrxi… Thank you Daniel King Ian Foster Ruijie (Ray) Zhu Nathaniel Hudson Daniel Grzenda The University of Chicago

What a honor to celebrate Emily Carter! Besides being an excellent scientist and leader, she is a role model for many of us!

Today Daniel King successfully defended his Ph.D. thesis The University of Chicago Congratulations Daniel! You have been amazing. We will miss you but we will follow your successes as a postdoc UC Berkeley bidmap.berkeley.edu

Same thing happened to me. Folks trying to reach me, sorry about this. DM me if urgent

Daniel & Jacob Gagliardi Group w Lawal O & Brett Savoie automated the study of chemical reactivity for 900 reactions with multireference quantum chemistry. First of a kind study. pubs.acs.org/doi/10.1021/ac…

Take a look at this #OpenAccess paper 📝 from the latest issue of Journal of Chemical Theory and Computation #JCTC 🔎 The Role of Force Fields and Water Models in Protein Folding and Unfolding Dynamics 💦🔬

🔓 go.acs.org/8A9 #thermodynamics

What a honor to give the awards to these two amazing scientists! Thank you The Journal of Chemical Physics⁩ and ACS Physical Chemical Division⁩!

Happy women day to all women from Italia ladies in Chicago

Way to go Daniel #APSMarch Gagliardi Group UChicago Chemistry

Today #APS there is a whole session on Multiconfiguration Pair-Density Functional Theory. Daniel King Gagliardi Group UChicago Chemistry will be talking about our latest developments!

Every weekend I enjoy reading the ASAP articles of JCTC JCIM & JCTC Journals I want to bring to your attention pubs.acs.org/doi/10.1021/ac… by Jelger Risselada and coll. on evolutionary molecular dynamics simulations for the development of peptide-based sensors and drugs,

On my way to #APS in our loved city Minneapolis (this is why husband came along…..) can’t wait to see Mississippi River and stone arch bridge and friends

Yesterday I was pickpocketed for the second time in one year Eataly @Eataly Chicago eataly.com/us_en/stores/c… The management could not care less when I asked for their help. I will stop going there for coffee with my Italian friends.

One quality of a good mentor is to “try to connect rather than correct”. I try to remember this every time I interact with my research group, colleagues and people in general

Congratulations Abhishek!

Congratulations Abhishek Mitra for receiving the Zerner Award at Sanibel conference. It has been such a pleasure to see you blossoming as a scientist in these years and soon you will graduate! Very proud of Gagliardi Group UChicago Chemistry Pritzker School of Molecular Engineering

Sunday afternoon at home....I cannot find Merlin's ear....

Have you seen the latest papers in JCTC JCIM & JCTC Journals ACS Publications among which pubs.acs.org/doi/10.1021/ac… pubs.acs.org/doi/10.1021/ac… Super exciting reading!

We're delighted to feature a new #OpenAccess paper 📝 from the latest issue of Journal of Chemical Theory and Computation: Scalar Relativistic Effects with Multiwavelets: Implementation and Benchmark 🔓

Check it out: go.acs.org/7S4