NSF Center for Computer Assisted Synthesis (C-CAS)'s Avatar

NSF Center for Computer Assisted Synthesis (C-CAS)

@nsf-ccas.bsky.social

Using quantitative, data-driven approaches to make synthetic chemistry more predictable. Phase II CCI #NSFFunded 🌐 https://ccas.nd.edu/ πŸ“· https://www.instagram.com/nsf_ccas/

246 Followers  |  836 Following  |  62 Posts  |  Joined: 12.02.2025  |  2.0781

Latest posts by nsf-ccas.bsky.social on Bluesky

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Advisor - Process Chemistry (SMDD) in Indianapolis, Indiana, United States of America | Research & Development at Lilly Apply for Advisor - Process Chemistry (SMDD) job with Lilly in Indianapolis, Indiana, United States of America. Research & Development at Lilly

🚨Job Alert 🚨

Advisor β€” Process Chemistry.

careers.lilly.com/us/en/job/R-...

#ccas #nsf #chemistry #job

31.07.2025 16:40 β€” πŸ‘ 0    πŸ” 0    πŸ’¬ 0    πŸ“Œ 0
C-CAS Trivia (Team 2) #ccas #chemistry #nsf #trivia
YouTube video by Center for Computer-Assisted Synthesis C-CAS Trivia (Team 2) #ccas #chemistry #nsf #trivia

Another addition of #ccastrivia!
www.youtube.com/shorts/36Ujj...

29.07.2025 15:25 β€” πŸ‘ 1    πŸ” 1    πŸ’¬ 0    πŸ“Œ 0

Congratulations Dr. Sigman!

29.07.2025 13:58 β€” πŸ‘ 1    πŸ” 0    πŸ’¬ 0    πŸ“Œ 0
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Second edition of #ccastrivia filmed at the recent in-person meeting at #cmu

Stay tuned to see who wins!

#ccas #nsf #chemistry #computerscience #trivia #chemsky

22.07.2025 14:33 β€” πŸ‘ 2    πŸ” 0    πŸ’¬ 0    πŸ“Œ 0

Congratulations Dr. @jamiecadge.bsky.social!

21.07.2025 13:17 β€” πŸ‘ 0    πŸ” 0    πŸ’¬ 0    πŸ“Œ 0
Richmond Sarpong has been awarded the Inhoffen Medal | College of Chemistry

Congratulations to Dr. Richmond Sarpong (@sarponggroup.bsky.social) on being awarded the 2025 Inhoffen Medal.

This award is considered to be "the most prestigious German award in the field of natural products chemistry."

chemistry.berkeley.edu/news/richmon...

18.07.2025 19:06 β€” πŸ‘ 1    πŸ” 0    πŸ’¬ 0    πŸ“Œ 0
Dr. AndrΓ© is wearing a rainbow lab coat and pink tie and talking to 3 children at the American Museum of Natural History. One of the demonstrations he did that showcase chemistry in action was the 
Briggs-Rauscher: Oscillating Clock
Three colorless solutions are combined into a large beaker and the mixture becomes amber, then blue-black, and then colorless again. This sequence of color changes repeats!
Colorless: I2 is consumed
Amber: The amber color results from the production of I2
Blue: The deep blue color is the result of the I- and I2 binding to starch in the solution.

Dr. AndrΓ© is wearing a rainbow lab coat and pink tie and talking to 3 children at the American Museum of Natural History. One of the demonstrations he did that showcase chemistry in action was the Briggs-Rauscher: Oscillating Clock Three colorless solutions are combined into a large beaker and the mixture becomes amber, then blue-black, and then colorless again. This sequence of color changes repeats! Colorless: I2 is consumed Amber: The amber color results from the production of I2 Blue: The deep blue color is the result of the I- and I2 binding to starch in the solution.

Pic during the Briggs-Rauscher: Oscillating Clock where the liquid turned from Amber to Blue

Pic during the Briggs-Rauscher: Oscillating Clock where the liquid turned from Amber to Blue

Pic during the Briggs-Rauscher: Oscillating Clock where the liquid turned back to Amber, he has a surprised smile face. The kids and adults loved it!

Pic during the Briggs-Rauscher: Oscillating Clock where the liquid turned back to Amber, he has a surprised smile face. The kids and adults loved it!

#AMNH #Pride #Scape
Sparkle with Pride: Chemistry in Action

Instagram legend: drdre4000, Dr. AndrΓ© K. Isaacs, associate professor of chemistry at the College of the Holy Cross Wowed us - Fun! Scientists rock!
(see Alt text)
#Develop #smArtist #EastCoastKin #MobilePhotography #NYCPhotography

13.06.2025 20:22 β€” πŸ‘ 23    πŸ” 7    πŸ’¬ 0    πŸ“Œ 0
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Chemical Pollution's Blind Spot: How CMU Researchers Are Filling the Gaps - Department of Chemistry - Mellon College of Science - Carnegie Mellon University Carnegie Mellon experts are working to identify how troubling chemicals can transform into even more problematic compounds.

Chemical Pollution's Blind Spot: How CMU Researchers Are Filling the Gaps

The information collected will build a library to share the methods & data including predictions about the environmental impact/sustainability.

@carrieamcdphd.bsky.social @olexandr.bsky.social

www.cmu.edu/chemistry/ne...

17.07.2025 19:43 β€” πŸ‘ 6    πŸ” 2    πŸ’¬ 0    πŸ“Œ 1
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Call for Abstracts: Northeast Regional Meeting (NERM) 2025 - American Chemical Society Call for Abstracts: Northeast Regional Meeting (NERM) 2025

Calling all organic chemists! Come present in Worcester, MA.

www.acs.org/events/regio...

15.07.2025 17:49 β€” πŸ‘ 2    πŸ” 3    πŸ’¬ 0    πŸ“Œ 0
Meet Dr. Gisela GonzΓ‘lez-Montiel, Postdoctoral Fellow at Notre Dame. Headshot of Gisela with C-CAS and Notre Dame logos

Meet Dr. Gisela GonzΓ‘lez-Montiel, Postdoctoral Fellow at Notre Dame. Headshot of Gisela with C-CAS and Notre Dame logos

Photo of Gisela working at her computer with three monitors. Caption: Gisela specializes in computational chemistry and data science. In C-CAS, her work involves using powerful computer programs to study areas like machine learning (ML) and artificial intelligence (AI) in chemistry. 

She  works with technologies like ChatGPT and AIMNet2, which help scientists understand how  building blocks of matter interact with each other by  using coding programming languages to model their behavior. By doing this, she makes it possible for the discovery of new tools in scientific research that are faster and more efficient.

Photo of Gisela working at her computer with three monitors. Caption: Gisela specializes in computational chemistry and data science. In C-CAS, her work involves using powerful computer programs to study areas like machine learning (ML) and artificial intelligence (AI) in chemistry. She works with technologies like ChatGPT and AIMNet2, which help scientists understand how building blocks of matter interact with each other by using coding programming languages to model their behavior. By doing this, she makes it possible for the discovery of new tools in scientific research that are faster and more efficient.

Photo of Gisela in front of a palace at night. Caption: Gisela is an adventurer and likes to travel. She enjoys visiting new cities, trying different kinds of food, and learning about other cultures. She especially enjoys sunbathing at beaches as much as walking in big cities like in Chicago. Gisela is also fluent in Spanish, a first-generation college student to pursue a higher degree, and the first science doctorate in her family. Outside of lab, Gisela enjoys reading, puzzles, and biking.

Photo of Gisela in front of a palace at night. Caption: Gisela is an adventurer and likes to travel. She enjoys visiting new cities, trying different kinds of food, and learning about other cultures. She especially enjoys sunbathing at beaches as much as walking in big cities like in Chicago. Gisela is also fluent in Spanish, a first-generation college student to pursue a higher degree, and the first science doctorate in her family. Outside of lab, Gisela enjoys reading, puzzles, and biking.

Meet Gisela, a postdoc in the Wiest lab and a recipient of the 2024 C-CAS DARE Fellowship.

Have a question for Gisela? Leave us a comment!

#nsf #chemistry #computerscience #ccas #meetascientist #chemsky

08.07.2025 19:40 β€” πŸ‘ 1    πŸ” 0    πŸ’¬ 0    πŸ“Œ 0
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Part 2 of #ccastrivia just dropped!

#ccas #nsf #chemistry #computerscience #trivia #chemsky

01.07.2025 18:48 β€” πŸ‘ 1    πŸ” 0    πŸ’¬ 0    πŸ“Œ 0
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Dr. Connor Coley awarded tenure at MIT Congratulations to Dr. Connor Coley for being awarded tenure at MIT's School of Engineering. Dr. Coley started at MIT as an Assistant Professor in July ...

Congratulations to Dr. Connor W. Coley for being awarded tenure at MIT's School of Engineering!

Dr. Coley started at MIT as an Assistant Professor in July 2020, before being promoted to Associate Professor in June 2024.

ccas.nd.edu/news-events/...

#chemistry #computerscience #ccas #nsf #chemsky

25.06.2025 19:50 β€” πŸ‘ 12    πŸ” 0    πŸ’¬ 0    πŸ“Œ 0

Check out the C-CAS Starter Pack to get updates from our members:

go.bsky.app/GC3mErR

24.06.2025 18:49 β€” πŸ‘ 3    πŸ” 2    πŸ’¬ 0    πŸ“Œ 0
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First edition of #ccastrivia filmed at the recent in-person meeting at #cmu

Stay tuned to see who wins (and if the microphone survives until the end of the round)!

#ccas #nsf #chemistry #computerscience #trivia #chemsky

24.06.2025 15:39 β€” πŸ‘ 2    πŸ” 0    πŸ’¬ 1    πŸ“Œ 0
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DCN welcomes new members Malkanthi Karunananada and Carl Saint-Louis C-CAS is pleased to announce that Dr. Malkanthi Karunananda and Dr. Carl Saint-Louis have joined the Data Chemist Network (DCN). Dr. Karunananada is an ...

The DCN has expanded!

Meet Dr. Malkanthi Karunananda and Dr. Carl Saint Louis:

ccas.nd.edu/news-events/...

#chemsky #chemistry #CCAS #DCN #computerscience #datachemistry

18.06.2025 16:36 β€” πŸ‘ 2    πŸ” 0    πŸ’¬ 0    πŸ“Œ 1
Meet Dr. Emily Wearing, Postdoctoral Fellow at UCLA. Headshot of Emily with C-CAS and UCLA logos

Meet Dr. Emily Wearing, Postdoctoral Fellow at UCLA. Headshot of Emily with C-CAS and UCLA logos

Picture of Emily standing at chemical fume hood. Caption: Emily’s research focuses on how we can use light to transform simple molecules into valuable molecular building blocks. These transformations have potential uses in the construction of more complex molecules like pharmaceuticals or materials.   In C-CAS, Emily uses computational  modeling and  data science, along with experimental studies, to better understand these transformations.

Picture of Emily standing at chemical fume hood. Caption: Emily’s research focuses on how we can use light to transform simple molecules into valuable molecular building blocks. These transformations have potential uses in the construction of more complex molecules like pharmaceuticals or materials. In C-CAS, Emily uses computational modeling and data science, along with experimental studies, to better understand these transformations.

Picture of Emily on a hiking trail. Caption: Emily recently moved back to California from Michigan, where she did her PhD at the University of Michigan, Ann Arbor. Since being in LA, she has been exploring the mountains and beaches and enjoying the sunshine.  Outside of the lab, Emily enjoys hiking, baking, and knitting. She also loves to travel and explore new places.

Picture of Emily on a hiking trail. Caption: Emily recently moved back to California from Michigan, where she did her PhD at the University of Michigan, Ann Arbor. Since being in LA, she has been exploring the mountains and beaches and enjoying the sunshine. Outside of the lab, Emily enjoys hiking, baking, and knitting. She also loves to travel and explore new places.

Meet Emily, a postdoc in the Doyle lab.

Have a question for Emily? Leave us a comment!

#nsf #chemistry #ccas #meetascientist #chemsky
1w

17.06.2025 15:14 β€” πŸ‘ 6    πŸ” 0    πŸ’¬ 0    πŸ“Œ 0
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Post-doctoral Scientist - Reaction Informatics in Indianapolis, Indiana, United States of America | Research & Development at Lilly Apply for Post-doctoral Scientist - Reaction Informatics job with Lilly in Indianapolis, Indiana, United States of America. Research & Development at Lilly

🚨 Job Alert 🚨

Postdoctoral Scientist – Research Informatics

careers.lilly.com/us/en/job/R-...

16.06.2025 15:10 β€” πŸ‘ 0    πŸ” 0    πŸ’¬ 0    πŸ“Œ 0
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Introducing a few of the C-CAS undergraduate students who joined us at our recent in-person meeting at CMU!

These talented students gave lightning talks, presented research posters, and formed connections with the entire C-CAS team.

#nsf #chemistry #ccas #undergraduateresearch #chemsky

10.06.2025 16:48 β€” πŸ‘ 1    πŸ” 0    πŸ’¬ 0    πŸ“Œ 0
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Advisor - Applied Research, Frontier AI At Lilly, we unite caring with discovery to make life better for people around the world. We are a global healthcare leader headquartered in Indianapolis, Indiana. Our employees around the world work ...

🚨 Job Alert 🚨

Advisor - Applied Research, Frontier AI

Check it out here:
lilly.wd5.myworkdayjobs.com/LLY/job/US-I...

10.06.2025 15:52 β€” πŸ‘ 0    πŸ” 0    πŸ’¬ 0    πŸ“Œ 0
Meet Dr. Sojung Kim, Recent PhD Graduate of UC Berkeley. Headshot of Sojung with C-CAS and UC Berkeley logos

Meet Dr. Sojung Kim, Recent PhD Graduate of UC Berkeley. Headshot of Sojung with C-CAS and UC Berkeley logos

Image of Sojung in front of scientific poster. Caption: "Organic chemists synthesize molecules by connecting atoms or smaller molecule pieces together through chemical reactions.   Sojung’s  research focuses on using visible light (e.g., colored LED lights) as an energy source to drive new kinds of chemical reactions that ultimately enable us to build a wider variety of molecules more efficiently."

Image of Sojung in front of scientific poster. Caption: "Organic chemists synthesize molecules by connecting atoms or smaller molecule pieces together through chemical reactions. Sojung’s research focuses on using visible light (e.g., colored LED lights) as an energy source to drive new kinds of chemical reactions that ultimately enable us to build a wider variety of molecules more efficiently."

Image of Sojung skiing in Lake Tahoe. Caption: "Sojung grew up in PA and graduated from Penn State as part of the Schreyer Honors College and Millennium Scholars Program.   Outside of lab, Sojung loves enjoying the CA sunshine and temperate Bay weather while exploring new restaurants in SF, beach-hopping down the Pacific Coast Highway, wine tasting in Sonoma and Napa, skiing in Lake Tahoe, and tending to her lab balcony garden."

Image of Sojung skiing in Lake Tahoe. Caption: "Sojung grew up in PA and graduated from Penn State as part of the Schreyer Honors College and Millennium Scholars Program. Outside of lab, Sojung loves enjoying the CA sunshine and temperate Bay weather while exploring new restaurants in SF, beach-hopping down the Pacific Coast Highway, wine tasting in Sonoma and Napa, skiing in Lake Tahoe, and tending to her lab balcony garden."

Meet Sojung, a recent graduate of the
@sarponggroup.bsky.social!

Have a questions for Sojung? Let us know!

#NSF #Chemistry #C-CAS #Meetascientist #Chemsky

06.06.2025 16:07 β€” πŸ‘ 5    πŸ” 1    πŸ’¬ 1    πŸ“Œ 0
Image of ~70 C-CAS members with the caption "2025 Annual Meeting, Carnegie Mellon University"

Image of ~70 C-CAS members with the caption "2025 Annual Meeting, Carnegie Mellon University"

Group of six C-CAS members seated together in discussion

Group of six C-CAS members seated together in discussion

Image of students and postdocs presenting posters in a large group poster session

Image of students and postdocs presenting posters in a large group poster session

Group of six C-CAS members together in discussion

Group of six C-CAS members together in discussion

Great to see so many new faces at the 2025 C-CAS in person meeting!

Special thanks to @cmuscience.bsky.social for hosting us!

#ccas #nsf #cmu #chemistry #collaboration

04.06.2025 20:12 β€” πŸ‘ 5    πŸ” 4    πŸ’¬ 1    πŸ“Œ 0
Headshots of 2025 SURF Cohort. 2025 SURF students include: 
Aneeq (Niko) Ahmed, Paton Lab, Colorado State University
Lou Alvarado, Darko Lab, University of Tennessee 
Elizabeth Bank, Wiest Lab, University of Notre Dame
Puja Chakraborty, Gomes Lab, Carnegie Mellon University
Benjamin Davis, Biswas Lab, Whitman College
Aidan Durant, Toledo Lab, American University
Ella Fletcher, Isaacs Lab, College of the Holy Cross
Sophia Gallard, Toledo Lab, American University
Ruchira Hariharan, Reisman Lab, CalTech
Felicia (Emily) Hortilllo, Isaacs Lab, College of the Holy Cross
Osewuike Igue, Isayev Lab, Carnegie Mellon University
Jaishnoor Kaur, Zhang Lab, University of Notre Dame
Madeline McDannell, Toledo Lab,  American University
Nabil Ibrahim Mouhajir, Toste Lab, UC Berkeley
Alejandro Orozco, Gomes Lab, Carnegie Mellon University
Quentin Rappa, Navarro Lab, Occidental College
Edwin Rosales Rodriguez, Darko Lab, University of Tennessee
Mila Sacarelos, Biswas Lab, Whitman College
Alexis Saeteurn, Paton Lab, Colorado State Univeristy
Jaiman Sandhu, Chawla Lab, University of Notre Dame
River Schmidt-Eder, Wang Lab, UCLA
Safia Sharif, Burks Lab, American University
Angel Troncoso, Doyle Lab, UCLA
Gabriella Williams, Toledo Lab, American University

Headshots of 2025 SURF Cohort. 2025 SURF students include: Aneeq (Niko) Ahmed, Paton Lab, Colorado State University Lou Alvarado, Darko Lab, University of Tennessee Elizabeth Bank, Wiest Lab, University of Notre Dame Puja Chakraborty, Gomes Lab, Carnegie Mellon University Benjamin Davis, Biswas Lab, Whitman College Aidan Durant, Toledo Lab, American University Ella Fletcher, Isaacs Lab, College of the Holy Cross Sophia Gallard, Toledo Lab, American University Ruchira Hariharan, Reisman Lab, CalTech Felicia (Emily) Hortilllo, Isaacs Lab, College of the Holy Cross Osewuike Igue, Isayev Lab, Carnegie Mellon University Jaishnoor Kaur, Zhang Lab, University of Notre Dame Madeline McDannell, Toledo Lab, American University Nabil Ibrahim Mouhajir, Toste Lab, UC Berkeley Alejandro Orozco, Gomes Lab, Carnegie Mellon University Quentin Rappa, Navarro Lab, Occidental College Edwin Rosales Rodriguez, Darko Lab, University of Tennessee Mila Sacarelos, Biswas Lab, Whitman College Alexis Saeteurn, Paton Lab, Colorado State Univeristy Jaiman Sandhu, Chawla Lab, University of Notre Dame River Schmidt-Eder, Wang Lab, UCLA Safia Sharif, Burks Lab, American University Angel Troncoso, Doyle Lab, UCLA Gabriella Williams, Toledo Lab, American University

Introducing our 2025 Summer Undergraduate Research Fellows!

These talented students will engage in 10-week summer research projects with C-CAS faculty across 11 different institutions.

#undergraduateresearch #nsf #ccas #chemistry #computerscience #summerresearch #nsfcci #chemsky

21.05.2025 15:19 β€” πŸ‘ 3    πŸ” 0    πŸ’¬ 0    πŸ“Œ 0
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Congratulations to Dr. Olaf Wiest for being recognized as a 2025 Notre Dame Research Achievement Award Winner!

14.05.2025 15:03 β€” πŸ‘ 0    πŸ” 0    πŸ’¬ 0    πŸ“Œ 0
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C-CAS would like to wish the NSF a happy 75th birthday! Thank you for all you do for us and for science.

#NSF #NSF75 #CCAS #chemsky #chemistry

10.05.2025 21:55 β€” πŸ‘ 7    πŸ” 2    πŸ’¬ 0    πŸ“Œ 0
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Thank you, NSF!

To celebrate the 75th anniversary of the NSF, the Centers for Chemical Innovation collected thank-you notes from our members that highlight the positive impact of NSF support.

Check them out here: www.nsfcci.org/nsf75

10.05.2025 17:01 β€” πŸ‘ 0    πŸ” 0    πŸ’¬ 0    πŸ“Œ 0
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STEM Day Join The Lawrence for one of our signature Five Dollar Days as we commemorate the 75th anniversary of the National…

πŸŽ‚ We’re celebrating the NSF’s 75th birthday on Saturday, May 10 with our friends at the Lawerence Hall of Science 🎈

Join us at STEM Day and learn about C-GEM's next generation biopolymers!

A shuttle will be available from Downtown Berkeley BART.

lawrencehallofscience.org/events/stem-...

05.05.2025 20:43 β€” πŸ‘ 3    πŸ” 3    πŸ’¬ 0    πŸ“Œ 0
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Watch the full interview with Dr. Connor Coley to learn more about the intersection between computer science and chemistry: youtu.be/tV4yZYKo3mk

#chemistry #computerscience #nsf #ccas #ccasconversations

06.05.2025 16:44 β€” πŸ‘ 0    πŸ” 0    πŸ’¬ 0    πŸ“Œ 0
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2025 Camille Dreyfus Teacher-Scholar Awards - Dreyfus Foundation Dedicated to the advancement of the chemical sciences.

Congratulations to C-CAS member Dr. Connor Coley for being named one of the 2025 Dreyfus Teacher-Scholars!

www.dreyfus.org/2025-camille...

02.05.2025 17:50 β€” πŸ‘ 1    πŸ” 0    πŸ’¬ 0    πŸ“Œ 0

Congratulations Dr. Sarpong!

01.05.2025 21:10 β€” πŸ‘ 1    πŸ” 0    πŸ’¬ 0    πŸ“Œ 0

Congratulations Dr. Reisman!

29.04.2025 21:43 β€” πŸ‘ 1    πŸ” 0    πŸ’¬ 0    πŸ“Œ 0

@nsf-ccas is following 20 prominent accounts