About
The 2025 LAMMPS Workshop and Symposium will be held August 12-14, 2025 in Albuquerque, NM, USA at the University of New Mexico (UNM) Continuing Education Building (1634 University Blvd NE). The workshop is for all LAMMPS users, from beginners to developers. It will be possible to participate in the workshop remotely, but we encourage in-person participation, particularly for invited and contributed talks.
We thank the DOE/NNSA ASC program for financial support in hosting the workshop.
The workshop will go all day each day from Tuesday, Aug 12 to Thursday, Aug 14. For those who wish to stay thru Friday morning, some recreational activities are planned.
Registration
There is no fee to attend the workshop. You can register at the following link:
The registration deadline is July 1, 2025 if you wish to present a talk or poster. The deadline to register to only attend the workshop is August 1st, 2025.
Attendees will need to provide for their own travel, accommodations, and meals (except lunches). Thanks to our corporate sponsors, we will provide all the lunches (Tues-Thurs) as well as snacks during the workshop. (If we end up a bit short on those $$, we may need to ask attendees to contribute a few $$ toward lunches.)
Logistics
The UNM facility for the workshop is just north of the UNM campus and is near the ABQ airport and convenient to downtown ABQ and two freeways.
Here are links of interest:
Virtual Participation
We have made arrangements with the technical support at the workshop venue and should now be able to support virtual participation via a live stream on YouTube. There will be one continuous stream for each day that should be archived by YouTube. You can find such archives of the live streams made during previous workshops in the same page.
All communication with virtual participants (for example if you need help during the tutorial or have a question for a speaker) will be handled exclusively through the dedicated LAMMPS Workshop Slack. If you are not yet a member of the LAMMPS Workshop Slack, you can join by following this link (Please send an email to slack@lammps.org if you have problems joining or in case the link is expired).
Invited Speakers
Danny Perez
Los Alamos National Laboratory
keynote Automated Generation of Training Data for LAMMPS Potentials using MaxEntropy
Mary Alice Cusentino
Sandia National Laboratories
Atomistic Modeling of Materials for Fusion Energy Using Machine Learned Interatomic Potentials
Rebecca K. Lindsey
University of Michigan
Mitch Wood
Sandia National Laboratories
Translating Excited State Dynamics to Classical Interatomic Potentials
Program
Schedule
- Day 1: All-day LAMMPS Tutorial - Tuesday, August 12, 2025
- Day 2: General Session of technical talks - Wednesday, August 13, 2025
- Day 3: General Session of technical talks, Poster Session, Breakouts - Thursday, August 14, 2025
Day 1: All-day LAMMPS Tutorial - Tuesday, August 12, 2025
LAMMPS Tutorial Day Preparation Instructions
| Time (MDT) | Type | Title | Presenter | Affiliation |
|---|---|---|---|---|
| 8:25am | Introduction | Welcome and Tutorial Overview | Axel Kohlmeyer | Temple University |
| 8:30am | Lecture | A Brief Overview of Molecular Dynamics, Statistical Mechanics, Interatomic Potentials | Jacob Gissinger | Stevens Institute of Technology |
| 9:15am | Lecture | Introduction to LAMMPS-GUI | Axel Kohlmeyer | Temple University |
| 9:45am | Hands-on |
Explore LAMMPS-GUI | ||
| 10:00am | Break | |||
| 10:15am | Lecture | Introduction to the Tutorials and Walk-Through of Tutorial 1 | Simon Gravelle | University of Grenoble Alpe / CNRS |
| 11:00am | Hands-on |
Self-Study Tutorials | ||
| 12:00pm | Box lunches | |||
| 12:55pm | Introduction | Start of Afternoon Session | Axel Kohlmeyer | Temple University |
| 1:00pm | Lecture | Introduction to OVITO | Mitchell Wood | Sandia National Laboratories |
| 1:30pm | Hands-on |
Continued Self-Study Tutorials | ||
| 3:00pm | Break | |||
| 3:15pm | Lecture | REACTER Tutorial | Jacob Gissinger | Stevens Institute of Technology |
| 4:00pm | Hands-on |
Continued Self-Study Tutorials | ||
| 5:30pm | End of Day 1 | |||
| 6:00pm | No-host dinner | |||
Day 2: General Session of technical talks - Wednesday, August 13, 2025
| Time (EDT) | Type | Title | Presenter | Affiliation |
|---|---|---|---|---|
| 8:30am | Welcome and what's new in LAMMPS | Steve Plimpton | Sandia National Laboratories | |
| 9:00am | Keynote Invited Talk | Automated Generation of Training Data for LAMMPS Potentials using MaxEntropy | Danny Perez | Los Alamos National Laboratory |
| 9:45am | Invited Talk | Using machine-learning accelerated simulations to inform new strategies for high throughput nanocarbon synthesis | Rebecca K. Lindsey | University of Michigan |
| 10:15am | Break | |||
| 10:30am | Contributed Talks | |||
| 12:00pm | Box lunches | |||
| 1:00pm | Invited Talk | Translating Excited State Dynamics to Classical Interatomic Potentials | Mitch Wood | Sandia National Laboratories |
| 1:30pm | Contributed Talks | |||
| 3:15pm | Break | |||
| 3:30pm | Contributed Talks | |||
| 5:00pm | End of Day 2 | |||
| 6:00pm | No-host dinner and tram ride to top of Sandia Mountains | |||
Day 3: General Session of technical talks, Poster Session, Breakouts - Thursday, August 14, 2025
| Time (EDT) | Type | Title | Presenter | Affiliation |
|---|---|---|---|---|
| 8:30am | Invited Talk | Eight Decades of Computational Science | Michael L. Klein | Temple University |
| 9:00am | Contributed Talks | |||
| 10:00am | Invited Talk | Atomistic Modeling of Materials for Fusion Energy Using Machine Learned Interatomic Potentials | Mary Alice Cusentino | Sandia National Laboratories |
| 10:30am | One-minute Poster Advertisement | |||
| 10:45am | Poster Session in lobby | |||
| 12:00pm | Box Lunches | |||
| 1:15pm |
Breakout: Track A (tutorial/contributed) |
Breakout: Track B (tutorial/contributed) |
| 2:15pm | (tutorial/contributed) | (tutorial/contributed) |
| 3:15pm | Break | |
| 3:30pm | (tutorial/contributed) | (tutorial/contributed) |
| 4:30pm | (tutorial/contributed) | (tutorial/contributed) |
| 5:30pm | End of Day 3 | |
| 6:00pm | No-host dinner | |