Postdoc VlachosGroup | Ph.D. @RolingGroup | Views are my own |
"It is our choices that show what we truly are, far more than our abilities."
- Albus Dumbledorelinkedin.com/in/deep-patel-…Joined July 2021
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. : )
"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@DJ_Dileep97
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…
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, @DeepMPatel6, @rolinggroup.
go.acs.org/aFV
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!
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…
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.
📢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 @IITalk in the beautiful Genova ⛵️🍕
🔗: iit.taleo.net/careersection/…#compchem#RT
Happy to help guide to completion Aziz Alamer's study started with Maria Flytzani-Stephanopoulos @ACSCatalysis. 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…
🦎 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. @NanoLettersgo.acs.org/7DE
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.
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. :)
A method for rapidly parameterizing interactions between adsorbed species developed by @DeepMPatel6 @RolingGroup enables prediction of reaction energies under varying surface coverage conditions.
go.acs.org/6MH
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312 Followers 401 FollowingI'm a postdoc in the Broadbelt group at @NorthwesternU. PhD from @GroupGreeley in @PurdueChemE. B. Chem. Engg. from @ICTMumbai1933.
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