Gallery

We are excited to share that Rob Paton will be co

We are excited to share that Rob Paton will be co-chair of the 2024 Computational Chemistry Gordon Research Conference!! Can’t wait!

Another bright 🌟 of the Paton group, @shreesown

Another bright 🌟 of the Paton group, @shreesowndarya is interning at the National Renewable Energy Lab (NREL)!

What has the Paton group been up to, you ask? We h

What has the Paton group been up to, you ask? We have a couple of bright stars 🌟 to highlight!
First off, our very own Lili Gallegos @vida_en_la_van visited the TACC facilities and presented her inspiring work on building predictive models for organic chemistry as part of her Frontera Fellowship. Way to go! 👏🏻

Professor Rob Paton (our fearless leader) weighs i

Professor Rob Paton (our fearless leader) weighs in on an artificial intelligence application to re-purposing chemical waste! ♻️

@chemcsu

#green #recycle #ai #machinelearning #chemicalwaste #organicchemistry

Congratulations @shreesowndarya for a people’s c

Congratulations @shreesowndarya for a people’s choice award at Technology Transfer, CSURF Demo Day Innovation Symposum!

Congratulations to the 2022 winners!

4th year PhD student Guilian Luchini was the recip

4th year PhD student Guilian Luchini was the recipient of the ACS CINF Scholarship for Scientific Excellence for his poster this week at the spring ACS meeting in San Diego! Congrats!

#acsspring2022

The Paton group is coming thru for ACS! We will be

The Paton group is coming thru for ACS! We will be in San Diego next week giving various talks and posters, don’t miss it!

Stay tuned for more details about each presentation!

#acsspring2022
#ACSCOMP
#ACSCINF
#ACSORGN
#science
#chemistry
#research

Mihai Popescu is joining our group @chemcsu as a p

Mihai Popescu is joining our group @chemcsu as a postdoc @paton_research_group, having completed PhD studies @oxford_chemistry with Martin Smith working on visible light photocatalysis. Mihai will be leaving the laboratory behind to focus on #compchem discoveries of new mechanisms and reactivity! Glad to have you on board.

¡Adiós Prof. Juan V. Alegre-Requena! It has been

¡Adiós Prof. Juan V. Alegre-Requena! It has been a pleasure to have you as a post doc in the Paton group. Although we are sad to see you go, we know you are off to produce important research as a Professor at the University of Zaragoza. Keep an eye on this one.

4th Year member @guilian16 was awarded a @csunatur

4th Year member @guilian16 was awarded a @csunaturalsciences Outstanding Scholar award at CSU’s GradShow 2021 for virtually presenting his research on obtaining shape-based information from digital molecular representations!

So cool 😎
We love our science!

Yesterday 2nd year Ricky Peña successfully passed

Yesterday 2nd year Ricky Peña successfully passed his literature seminar for the physical division! 👏🏻
“I had a great time conveying the awesome Bayesian reaction optimizer developed by professor Ryan Adams and professor Abigail Doyle!”

Next up for Ricky is the preliminary exam for official PhD candidacy!

The Paton group teamed up with the Kim group and t

The Paton group teamed up with the Kim group and traveled to Breckenridge for a computational/theory retreat!

We discussed big challenges in our research fields, did SWOT analyses, and envisioned goals for the future! Oh, and hiked to meet a troll.

#breckenridge #retreat #SWOT #compchem

As a graduate student at CSU, and specifically in

As a graduate student at CSU, and specifically in the Paton group, spending time outside of the research lab is extremely important!
2nd year grad student Ricky Peña spoke with his alma mater, Lawrence University, today about his experience at CSU and his work with predicting hydrogen atom transfer barrier heights!

#chemistry #gradschool #pdhlife #hydrogen #organicchemistry #physicalchemistry #compchem

~vibe check~ The Paton group developed a Python p

~vibe check~
The Paton group developed a Python program called GoodVibes that computes quasi-harmonic corrections to thermochemical data from quantum-chemical calculations. You can also make pretty nice energy diagrams with it! Automating post calculation corrections is a way to reduce errors and make your work more reproducible!

Check out the code at www.GitHub/patonlab/GoodVibes
#goodvibes #quantum #compchem #chemistry #computers #science

Congratulations to our fearless leader who is now

Congratulations to our fearless leader who is now a full professor at Colorado State University! Cheers!

Liliana Gallegos, a rising 4th year in the Paton g

Liliana Gallegos, a rising 4th year in the Paton group, is one of four graduate students in the nation to receive the prestigious Frontera Fellowship!!
Frontera is one of the most powerful academic supercomputers in the world! Lily will get to collaborate and network with TACC experts while she continues to tackle computational organic chemistry problems.

#supercomputing #research #computationalchemistry #chemistry #phd

Third-year grad student Guilian is excited to anno

Third-year grad student Guilian is excited to announce he's accepted an internship at GlaxoSmithKline this summer!
Guilian will be working virtually with the Molecular Design group at GSK on high throughput method development for physics-based reaction models 👨‍💻⚛️
Represent!
.
.
.
.
#moleculardesign #features #sterics #software #coding #python #drugs #drugdesign #science #chemistry #research

Paton group presenting today in the monthly Houk G

Paton group presenting today in the monthly Houk Group Alum meeting!

#family #comchem #software #freeenergy #goodvibes

Happy science Sunday!!!! Today we are featuring ou

Happy science Sunday!!!! Today we are featuring our awesome post doc Nithya!!!
.
.
.
.
.
.
.
#science #research #compchem #organicchem #machinelearning

CSU undergrad and member of the Paton research gro

CSU undergrad and member of the Paton research group Kate Fieseler has been selected for an internship with Vertex working in their Computational Chemistry group! Kate will help develop workflows to generate quantum mechanical data and analyze those results to identify deficiencies in their molecular mechanics force fields for more accurate and precise drug design!
Congratulation Kate!

Load More... Follow on Instagram