Molecular Simulations Workshop
We are pleased to announce the 7th Molecular Simulation Workshop, which will take place on September 29, 2026 at the Agile Strategy Lab at NJIT.
The workshop will bring together a diverse group of researchers who are actively engaged in molecular and atomistic modeling. We started to organize this workshop in 2018 for NJIT students, later extending it to other universities in the region. We are delighted to see new faces and engage in meaningful discussions that will contribute to the advancement of this field.
The workshop has lined up several keynote presentations by invited speakers who are experts in the field. In addition to the keynote presentations, we will have an electronic poster session that is open to all participants. Posters will be displayed on LCD Displays (do not need to print anything, we are environmentally friendly). Before the poster section, we provide a short time for presenters to give a pitch to introduce their research and invite other attendees to view their poster.
This year our workshop will also include a panel discussion on how to train the new generation of computational researchers. Our panelists are Prof. Jerelle Joseph (Princeton, CBE), Prof. Ashley Guo (Rutgers, CBE), Prof. Michele Pavanello (Rutgers, Physics), Prof. Alexander Urban (Columbia, CBE), Prof. Nutth Tuchinda (NJIT, CME).
We encourage all interested researchers and students to register for the workshop and join us for a day of learning, sharing, and networking. We look forward to seeing you there!
Our invited speakers this year are:
Dr. Noam Bernstein, Naval Research Laboratory, "Iterative fine tuning of MACE Foundation Models"
Prof. Ian Bourg, Princeton University, "Multiscale Simulation of Hydrated Clay Colloidal Assemblages"
Prof. Gregory Dignon, Rutgers University, "Phase separation, mixing and demixing in biomolecular systems"
Workshop registration
Workshop registration is closed.
If you have any questions, please contact us at molsimworkshop@gmail.com
Workshop Program
- 9:00-9:15 Opening Remarks
- 9:15-10:00 Noam Bernstein "Iterative fine tuning of MACE Foundation Models"
- 10:00-10:30 Coffee Break and Networking
- 10:30-11:15 Gregory Dignon "Phase separation, mixing and demixing in biomolecular systems"
- 11:15-11:30 Group Photo
- 11:30-12:30 Panel Discussion "How Should We Train the Next Generation of Computational Researchers?"
- 12:30-1:15 Lunch Break and Networking
- 1:15-1:45 Poster Pitch Presentations
- 1:45-3:15 Poster Session
- 3:15-4:00 Ian Bourg "Multiscale Simulation of Hydrated Clay Colloidal Assemblages"
- 4:00-4:15 Closing Remarks
Abstracts
How to find us
Map and detailed instructions [PDF]
Presentation Format
Please note that this is an in person event, there will be no online participation.
Posters will be displayed on 42-inch LCD displays, and you'll need to bring your laptop to connect to the display. Design your poster in landscape format with a resolution of at least 1920 x 1080 pixels. Present your poster as a single poster or divide it into 3-4 slides.
If you have questions regarding the workshop, please contact the organizers, Prof. Gennady Gor and Ms. Gunel Nabiyeva directly via e-mail: molsimworkshop@gmail.com
Previous workshops: 6th Workshop (2025), 5th Workshop (2024), 4th Workshop (2023), 3rd workshop (2022), 2nd workshop (2019), and 1st workshop (2018)
