Dear fellow members of the Amber community,
I am extremely pleased to announce an exciting Amber workshop
opportunity for academic and industry scientists interested in learning
about the latest free energy and machine learning methods forthcoming in
Amber26.We will be holding a new workshop:
*Amber Machine Learning and Free Energy Simulation Workshop (AMBER2026)
<
https://dipc.ehu.eus/en/scientific-activities/workshops/amber-machine-learning-and-free-energy-simulation-workshop-amber2026>*,
*July 13–17, 2026* at the /Donostia International Physics Center/ (DIPC
<
https://dipc.ehu.eus/en/>), University of Basque Country (EHU
<
https://www.ehu.eus/en/en-home>) in Donostia / San Sebastián (Basque
Country, Spain).Full details can be found here: https://amber2026.dipc.org/
This advanced workshop focuses on free energy simulations and their
integration with state-of-the-art machine learning methods. Participants
will explore core theoretical foundations alongside best practices using
the latest tools and methodologies in Amber26. The program combines
focused lectures with expert-guided, hands-on sessions. By the end of
the workshop, attendees will have practical experience, working
examples, and clear blueprints to design and execute complete free
energy workflows independently for research or industry applications.
The three main subjects of the workshop will be:
* Free energy surface and minimum free energy path approaches for
investigating enzyme reaction mechanisms.
* Alchemical free energy methods and end-to-end workflows for drug
discovery applications.
* Development, training, and application of machine-learning
potentials (MLPs) in free energy calculations.
Instructors include Darrin York, Şölen Ekesan, Zeke Piskulich, Julie
Puyo-Fourtine, Erika McCarthy and Lauren Lerew from the York Lab
<
https://theory.rutgers.edu/> at Rutgers University and Xabier Lopez,
Jon Uranga, Jose Mercero and Elena Formoso from DIPC
<
https://dipc.ehu.eus/en/>/EHU <
https://www.ehu.eus/en/en-home>.
There will also be a poster session, where attendees can share their
work and get feedback from the workshop instructors and other participants.
The capacity is limited to 50 attendees, and registration is a 2-step
process.  Full information about how to apply and register can be found
at: https://amber2026.dipc.org/registration.
The initial step is to *Apply* by filling out the application form
<
https://forms.gle/L4Bwb5ZE3ffMqcrRA>Â providing information on your
background and motivation for attending the workshop, and indicating
your interest in presenting a poster at the poster session. The
application window opens on *Feb 15, 2026* (this Sunday!), and will
close once capacity has been reached.
Admission decisions will be communicated by email shortly after March
31, 2026 and those admitted will receive a link and instructions to
*Register*.  San Sebastian is a very popular tourist destination,
especially during the summer, and as part of this workshop we have
arranged special rates for on-campus housing options (see
https://amber2026.dipc.org/accommodation for details). However - these
fill up very quickly, and so we urge that you register as early as
possible and make your housing arrangements in advance.
We hope to see you in Donostia / San Sebastián!
With best wishes,
Darrin York
--
======================================================================
Darrin M. York : Distinguished Professor
: Henry Rutgers University Chair
Institute for Quantitative :
Biomedicine and Department of : Director, Laboratory for
Chemistry & Chemical Biology : Biomolecular Simulation Research
:
Rutgers, the State University :Darrin.York.rutgers.edu
of New Jersey : fax: +1-732-445-4320
174 Frelinghuysen Road : phone: +1-848-445-5199
Piscataway, NJ 08854 USA :http://theory.rutgers.edu
======================================================================
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Received on Fri Feb 13 2026 - 13:00:03 PST
