NSF Center for Computer Assisted Synthesis | News

Congratulations to Matt Sigman on being elected to the American Academy of Arts and Sciences!  Dr. Sigman's work focuses on a "machine‑learning–driven approach that predicts chemical reactions with far fewer experiments" …

C-CAS is proud to introduce 36 talented undergraduate students who will be taking part in our SURF program this summer: Lou AlvaradoTajalla BigzadAadi BordiaKelsey BurnsMackenzie CrabtreeBenjamin DavisKade DennisJaden FashingbauerTrinity FaulknerLuke FlangelFernando…

Congratulations to C-CAS trainee Braden Chaffin (Doyle Group) at being named one of the 2026 Foote Fellows at UCLA. Senior Foote Fellowships support outstanding graduate students in their third year of study.  …

Congratulations to Dr. Dean Toste for being elected to the UK's national academy of sciences! The Royal Society, founded in 1660, recognizes exceptional scientists and includes members such  Stephen Hawking, Isaac Newton, Charles Darwin, and Albert Einstein.

Congratulations to Dr. Raychelle Burks on being awarded a Fullbright Award to engage in collaborative research at  Curtin University in Australia.  Dr. Burks will work with Curtin University researchers to  "develop low-cost, rapid detection tools for dangerous and illicit substances, using naturally…

Congratulations to Dr. Carl Saint-Louis on being named 2026 Outstanding Undergraduate Research Mentor by Kennesaw State University.  This award is granted to KSU faculty with demonstrated achievement and dedication to both research and mentorship.  …

Congratulations to Dr. Rob Paton for being named a 2026 College of Natural Sciences Professor Laureate at Colorado State University.  This award is given to faculty for their achievements in research, teach, menotring, and outreach.  …

Congratulations to Dr. Richmond Sarpong on being elected to the American Association for the Advancement of Science! Dr. Sarpong's research group specializes in synthetic organic chemistry, especially the preparation of natural products by applying modern organometallic methods and strategies that have proven to be efficient for complex molecule synthesis.

Congratulations to Dr. André Isaacs on being named to the 'STEM' category of the Attitude 101 List! Dr. Isaacs was recognized for his work in both research and public engagement, including the area of visibility for LGBTQ+ people in STEM. The article noted that Dr. Isaacs "has built a substantial online audience as a science communicator, particularly through his playful TikTok videos that use co…

Congratulations to Dr. Sarah Reisman for being awarded the Feynman Prize for Excellence in Teaching. This award is Caltech's highest teaching prize.

Congratulations to C-CAS members Simone Gallarati, Abby Doyle, and Matt Sigman, as well as Doyle lab member Erin Bucci, for the publication of their recent manuscript, "Transferable enantioselectivity models from sparse data," in Nature. Project Background When optimizing a new asymmetric reaction, machine learning models may be used to accelerate the identification of selective ligands, however …

Congratulations to Dr. Carl Saint-Louis fpr receiving the 2025 – 2026 Outstanding Early Career Faculty Award from the College of Science and Mathematics at Kennesaw State University! Congratulations to Dr. Carl Saint-Louis fpr receiving the 2025 – 2026 Outstanding Early Career Faculty Award from the College of Science and Mathematics at Kennesaw State University!

Congratulations to Dr. Dalia Biswas on being named as a Paul Garrett Fellow by Whitman College. The Paul Garrett Fellowship is awarded to Assistant or Associate Professors who combine a deep commitment to teaching with active, creative scholarship. Congratulations to Dr. Dalia Biswas on being named as a Paul Garrett Fellow by Whitman College. The Paul Garrett Fellowship is awarded to Assistant or…

Congratulations to Dr. Raychelle Burks on being elected as Incoming President of IUPAC's Division V Analytical Chemistry! Her term begins in Jaunary and will last for two years. Congratulations to Dr. Raychelle Burks on being elected as Incoming President of IUPAC's Division V Analytical Chemistry! Her term begins in Jaunary and will last for two years.

In a recent article highlighting C-CAS, PIs Olexandr Isayev and Gabe Gomes, as well as trainees Robert MacKnight, Nick Gao, and Liliana Gallegos provided insights about the impact of the Center on their work. In a recent article highlighting C-CAS, PIs Olexandr Isayev and Gabe Gomes, as well as trainees Robert MacKnight, Nick Gao, and Liliana Gallegos provided insights about the impact of the Cen…

C-CAS wrapped up its 10th Semiannual Meeting on October 13, 2025. This series featured 12 C-CAS presenters as well as four invited speakers from our industrial partners. Recordings from C-CAS presenters can be found on our Youtube channel. C-CAS wrapped up its 10th Semiannual Meeting on October 13, 2025. This series featured 12 C-CAS presenters as well as four invited speakers from our industrial…

Congratulations to Dr. Nicholas Ball for publishing the first paper related to the projects of the Data Chemist Network and C-CAS. This paper was a result of a collaboration Pfizer and the Ball lab at Pomona College. Congratulations to Dr. Nicholas Ball for publishing the first paper related to the projects of the Data Chemist Network and C-CAS. This paper was a result of a collaboration Pfizer a…

C-CAS PI Dr. Nitesh Chawla has been appointed to lead Notre Dame's AI & Computing Initiative. The initiative’s core aim is to advance purposeful data, AI, and computing — excelling in foundational research while catalyzing interdisciplinary collaboration and real-world translation to address pressing societal challenges Congratulations Dr. Chawla!

Congratulations to Luca McDermott Catena (Postdoctoral Researcher, Sarpong Group) and Omar Santiago-Reyes (Graduate Student, Reisman lab, CalTech) on being named as DARE Fellows for 2025-2026. The DARE (Developing Academic Research Excellence) provides partial funding for C-CAS trainees to pursue their research goals.

C-CAS PIs Dr. Olaf Wiest and Dr. Xiangliang Zhang will host an in-person data chemistry bootcamp from September 22 – 26 at the University of Notre Dame. Local expenses (housing and food) will be covered, but space is limited. Deadline to sign-up is September 1.