Happy to help guide to completion Aziz Alamer's study started with Maria Flytzani-Stephanopoulos ACS Catalysis. Aziz developed dilute Pd-In alloys for CO2 hydrog to methanol, finding Pd ensemble sizes to be key with small clusters being most efficient. pubs.acs.org/doi/full/10.10…

A method for rapidly parameterizing interactions between adsorbed species developed by Deep Patel @RolingGroup enables prediction of reaction energies under varying surface coverage conditions. go.acs.org/6MH

Digital Catalysis Lab (Digital Catalysis Lab) at University of Oklahoma Oklahoma ChE is attending American Institute of Chemical Engineers (AIChE) American Institute of Chemical Engineers in Orlando and will give 2 oral presentations and a poster from Keishana Navodye Keishana Navodye. #AIChE2023 #AIChEAnnual #NewP #Sustainabilty

I built an #interactive #Python Matplotlib #dashboard for #density-based #cluster analysis with #BDSCAN to support my students & anyone interested to learn about #MachineLearning! Aside, fun practice with code recursion! Stoked! On #github @ github.com/GeostatsGuy/Py… ∀.

Holiday wish: JARVIS - Interactive AI for everyday chores and doing reaction pathway analysis, materials design, model selection, and much more (partially fulfilled) Let me know if you want to work towards this together. :)

Jarvis now knows how to propose a network of most probable elementary steps on the catalyst surface, in the solution, or hybrid. One step closer to developing the first AI member of my future research group to consistently accelerate cutting-edge research.

🦎 The Namaqua chameleon has inspired a groundbreaking energy-efficient coating that can both cool and warm buildings throughout the seasons. This temperature-adaptive coating could save energy while being cost-effective to produce. Nano Letters go.acs.org/7DE

Jarvis is now an independent AI, working independently and rigorously on one of my projects.

Counting bonds is soo fun!

I can totally correlate now with this post, with R2: 0.99 and close-to-zero mean and max absolute error.

📢JOB OPENING📢 We are seeking PostDocs with a strong background in biological simulations willing to incorporate enhanced sampling and machine learning in their research Apply here to join us at IIT in the beautiful Genova ⛵️🍕 🔗: iit.taleo.net/careersection/… #compchem #RT

Nothing beats the joy of seeing ""reached required accuracy - stopping structural energy minimisation" at the end of CI-NEB for an elementary change to a long-chain organics.

Our recent contribution on the Density Functional Theory Investigation into Modulating Surface–Adsorbate Interactions with Strain for Ammonia Synthesis on a Pd (111) Surface | The Journal of Physical Chemistry C pubs.acs.org/doi/10.1021/ac…

Beautiful! Isn't it? Somewhere in here lies the answer to how to sustainably and efficiently depolymerize PET.

This week I am excited to share our work #ACSFall2024 at the Colorado Convention Center. 1. Today (08/18/2024) at 3:37 PM at the Bluebird Ballroom 3E. 2. Wednesday (08/21/2024) at 9:15 AM at the Bluebird Ballroom 3G. Hoping to see y'all if you are attending and present!

Writing is super fun :)

Energy scaling correlations are developed in the context of liquid-solid interfaces to predict reaction energetics for crotonaldehyde hydrogenation on transition metal surfaces. Work by Jaeryul Park, Deep Patel, @rolinggroup. go.acs.org/aFV

I am delighted to share our newest contribution on utilizing solvolysis and catalytic transfer hydrogenolysis of PET over metal-support interfaces of Cu/ZnZrOx published in Angewandte Chemie International Edition. onlinelibrary.wiley.com/doi/10.1002/an…

"PET" project! Dhananjay (DJ) Dileep and fellow CBE researchers at Iowa State are molding innovative ways to better recycle today's PET (Polyethylene terephthalate) plastics go.iastate.edu/AGYSCA Dhananjay Dileep

Little things that make me happy every day: Seeing a single imaginary mode in calculated TS and finding that my intuition on minimum energy path is correct based on comparing Ga of different possible pathways of an elementary step at a given surface. : )