for the combined community of engineers and scientists developing and applying molecularly based theories, modeling, and simulation
Joined November 2014
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The fall 2025 CoMSEF newsletter is available: comsef.org/sites/comsef.org/…
Congratulations to Shiv Rekhi (Texas A&M, Advisor: Jeetain Mittal) and Feranmi Victor Olowookere (U. Alabama, Advisor: Heath Turner) who won the CoMSEF Graduate Student Awards in Computational Molecular Science and Engineering awards at the AIChE Annual Meeting
Congratulations to Neeraj Rai (Vice Chair, Mississippi State), Janani Sampath (Secretary/Treasurer, Florida), Shuwen Yue (Liaison Director, Cornell), and Rose Cersonsky (Liaison Director, Wisconsin) who were recently elected to the CoMSEF Executive Committee!
Congratulations to Nicholas E. Jackson (U. Illinois Urbana-Champaign) who is the winner of the 2024 CoMSEF Young Investigator Award!
Congratulations to Mingfei Zhao @Faye_zhao1990 (U. Alabama) who is the 2024 winner of the CoMSEF Postdoctoral Scholar Award for Modeling and Simulation sponsored by MSDE!
Today (Wed Oct 30) at 6:15 PM in the Convention Center Room 30D is the combined Area 1A/CoMSEF business meeting. This is a great opportunity to get more involved and engaged with our community! Please join us there.
Today (Wed Oct 30) at 3:30 PM in the Hilton Sapphire Ballroom D is the CoMSEF Plenary Session featuring talks by our 2024 award winners! aiche.confex.com/aiche/2024/…
Computational Molecular Science and Engineering retweeted
Dr. Athanassios "Thanos" Panagiotopoulos, recipient of the 2024 Alpha Chi Sigma Award, is being recognized at the #AIChEAnnual Honors Ceremony for his novel approaches and transformative insights into the thermodynamics, structure, and dynamics in complex mixtures. @Princeton
2023 CoMSEF Grad Student award winners Siddarth Achar (U Pittsburgh, advisor: J. Karl Johnson) and Wei-Tse Hsu (U Colorado, advisor: Michael Shirts) #AIChEAnnual #AIChE2023 #CoMSEF – at Florida, USA
2023 CoMSEF Young Investigator Award winner Rebecca K. Lindsey cited “for transformative advances in understanding chemistry under extreme conditions, made possible by her pioneering developments in machine learned interatomic model frameworks.” #AIChE2023 #AIChEAnnual #CoMSEF – at Florida, USA
2023 CoMSEF Impact Award winner Heather J. Kulik cited “for pioneering methods bridging accelerated first-principles and multi-scale simulations with data-driven machine learning to guide the design of transition metal-based catalysts and enzymes.” #AIChEAnnual #AIChE2023 – at Florida, USA
The November 2023 CoMSEF newsletter has been published comsef.org/sites/comsef.org/…
Rebecca Lindsey receives Computational Molecular Science and Engineering Forum Young Investigator Award che.engin.umich.edu/2023/07/… – at Midland, MI
Computational Molecular Science and Engineering retweeted
Enhanced sampling virtual school (3/20-3/24/2023) now taking applications. Learn how to do all kinds of advanced sampling in GROMACS from some great people. @oldmanjank @Michael_Shirts @SarupriaS @shahjk @rai_neeraj2
i-comse.org/workshops/
Computational Molecular Science and Engineering retweeted
Application is open for the 2023 CoMSEF scholars REU program! Please visit our website and share information about the program to interested undergraduate students. comsefscholars.org/
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Congrats to Mike Jones (U Chicago) and Aditya Nandy (MIT) who are the winners of the 2022 Graduate Student Awards in Computational Molecular Science and Engineering!
Congrats to 2022 CoMSEF Young Investigator Award winner Antonia Statt! @StattAntonia “For the development and application of innovative computational method and models to understand polymer thin films, colloid-polymer systems, and disordered proteins”
Congrats to Prof. Jim Pfaendtner who is the 2022 CoMSEF Impact Award winner! “For contributions to methods and applications in the field of molecular simulation of interfacial phenomena of biomolecules”
Computational Molecular Science and Engineering retweeted
Hey molecular simulation ppl, abstracts are due 3/18 for the 2022 FOMMS (Foundations of Molecular Modeling and Simulation) conference. Please RT, and plan to join us in WI! This is my favorite conference! @aichecomsef @ACSCOMP fomms.org/deadlines