Computational Molecular Science and Engineering

for the combined community of engineers and scientists developing and applying molecularly based theories, modeling, and simulation

[Computational Molecular Science and Engineering @aichecomsef]

The fall 2025 CoMSEF newsletter is available: https://t.co/kLLwxbUNnP

[Computational Molecular Science and Engineering @aichecomsef]

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

[Computational Molecular Science and Engineering @aichecomsef]

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!

[Computational Molecular Science and Engineering @aichecomsef]

Congratulations to Nicholas E. Jackson (U. Illinois Urbana-Champaign) who is the winner of the 2024 CoMSEF Young Investigator Award!

[Computational Molecular Science and Engineering @aichecomsef]

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!

[Computational Molecular Science and Engineering @aichecomsef]

Congratulations to Sapna Sarupria (U. Minnesota) who is the 2024 CoMSEF Impact Award winner!

[Computational Molecular Science and Engineering @aichecomsef]

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.

[Computational Molecular Science and Engineering @aichecomsef]

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! https://t.co/6BVe3ns6KG

[American Institute of Chemical Engineers (AIChE) @ChEnected]

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

[Computational Molecular Science and Engineering @aichecomsef]

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

[Computational Molecular Science and Engineering @aichecomsef]

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

[Computational Molecular Science and Engineering @aichecomsef]

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

[Computational Molecular Science and Engineering @aichecomsef]

The November 2023 CoMSEF newsletter has been published https://t.co/MMnDPiRECS

[Computational Molecular Science and Engineering @aichecomsef]

Rebecca Lindsey receives Computational Molecular Science and Engineering Forum Young Investigator Award https://t.co/h9pLImFsQl

[Jeffrey Potoff @jpotoff]

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
https://t.co/DpkBnjONGi

[Jim Pfaendtner @JimPfaendtner]

Application is open for the 2023 CoMSEF scholars REU program! Please visit our website and share information about the program to interested undergraduate students. https://t.co/iKq3gb9GGJ

[Computational Molecular Science and Engineering @aichecomsef]

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!

[Computational Molecular Science and Engineering @aichecomsef]

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”

[Computational Molecular Science and Engineering @aichecomsef]

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”

[Jim Pfaendtner @JimPfaendtner]

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 https://t.co/nKigwhlyld