NeurIPS 2026 Workshop · Sydney, Australia
Machine Learning for Simulations in Biology & Chemistry
The 2nd SIMBIOCHEM Workshop
Fusing molecular simulation, generative models and agentic AI into physics-aligned systems that learn from reality.
Dates
Dec 11 or 12, 2026
Location
Sydney, Australia
Latest updates
SIMBIOCHEM II is confirmed as a NeurIPS 2026 workshop in Sydney.
Submissions are open — deadline 29 August 2026, 11:59 PM UTC.
Programme Committee sign-ups are open to reviewers of all levels.
The workshop
Simulation as the substrate for scientific AI
The next step beyond structure prediction is motion — trajectories, ensembles, kinetics and rare events. SIMBIOCHEM II brings together machine learning, computational chemistry, biophysics and materials science to make molecular AI faster, and grounded in physical rigour.
“How can simulation, generative models, and agentic AI be fused into physics-aligned systems that learn from reality and accelerate biological and chemical discovery?”
Topics & themes
Community
Expected attendance: 100–150 researchers. Two poster sessions, six community spotlights and a sponsor-supported Sydney social event.
Sponsors
Supported by the community
Sponsorship funds travel awards, catering, best-paper prizes and the Sydney social event — while scientific review stays independent of sponsor interests.
1st-edition sponsors
Sponsorship supports
- Travel & registration support for students and underrepresented participants
- Poster sessions, catering and informal networking
- Best paper, best poster and reproducibility awards
- A high-quality Sydney social event for the whole community
Speakers
Keynotes & invited speakers
Perspectives from AI-for-science labs, computational chemistry, biophysics and industry research. Click a speaker for their profile.
Panel · Agents & Simulations
Moderator: TBC
Frank Noé
MSR AI for Science · FU Berlin
Anthony Costa
NVIDIA — Digital Biology
Kristine Deibler
Novo Nordisk
Konstantin Hemker
OpenAI
Agenda
Workshop Schedule
A full day of keynotes, invited talks, community spotlights and two poster sessions. Times are provisional and will be finalised once NeurIPS confirms the room and day.
- 08:50 – 09:00Ceremony
Opening
Organizers
Confirmed - 09:00 – 09:30Keynote
Keynote — Frank Noé
MSR AI for Science · FU Berlin
Confirmed - 09:30 – 10:00Spotlight
Spotlight Talks I
From submissions · 3 × 10 min
Confirmed - 10:00 – 10:15Invited Talk
Invited Talk I — Yu-Shan Lin
Tufts University
Confirmed - 10:15 – 10:30Invited Talk
Invited Talk II — Heather J. Kulik
MIT
Confirmed - 10:30 – 10:45Break
Coffee Break + Poster Setup
Catering provided by sponsors
- 10:45 – 12:45Poster Session
Poster Session I + Lunch
Catering provided by sponsors
- 12:45 – 13:00Invited Talk
Invited Talk III — Ai Niitsu
RIKEN IMS
Confirmed - 13:00 – 13:15Invited Talk
Invited Talk IV — John Chodera
Sloan Kettering Institute · MSKCC
Confirmed - 13:15 – 13:45Spotlight
Spotlight Talks II
From submissions · 3 × 10 min
Confirmed - 13:45 – 14:00Break
Coffee Break + Poster Setup
Catering provided by sponsors
- 14:00 – 16:00Poster Session
Poster Session II
Catering provided by sponsors
- 16:00 – 16:45Panel
Panel — Agents & Simulations
Frank Noé · Anthony Costa (NVIDIA) · Kristine Deibler (Novo Nordisk) · Konstantin Hemker (OpenAI)
Confirmed - 16:45 – 17:10Keynote
Keynote — Max Welling
CuspAI · AMLab
Confirmed - 17:10 – 17:30Ceremony
Best Paper Awards + Closing
Organizers
Confirmed - 18:30 – 21:00Social
Optional Social Event
Further networking, supported by sponsors
Call for papers · Open
Submit your work on ML for molecular simulation
Non-archival short papers (5–8 pages) and abstracts, double-blind. Six spotlight talks and best-paper awards from accepted submissions. Read the call to get the templates and COI requirements before you submit.
This year NeurIPS requires COI disclosure — including a shared affiliation or even a mild friendship with the organising or advisory committees. Read the COI policy.
Submissions open
Now on OpenReview
Submission deadline
August 29, 2026
11:59 PM UTC (UTC-0)
Author notification
September 29, 2026
AoE
Workshop day
Dec 11 or 12, 2026
Exact day TBC by NeurIPS
Organisers
The organising team
Six organisers across academia and industry, with Emine Kucukbenli and Ole Winther as senior organisers. Click a name to see their research interests.
Advisory committee
Senior advisors
Senior faculty and industry research leaders supporting the workshop through community steering, scientific advice and endorsement. Click a name for their profile.
Venue
Sydney, Australia
SIMBIOCHEM II is a NeurIPS 2026 workshop in Sydney, Australia. NeurIPS workshops run December 11–13.
December 11 or 12, 2026
Exact day (Dec 11 or Dec 12) to be confirmed by NeurIPS.
NeurIPS 2026 · Sydney, Australia
Exact venue and room assigned by NeurIPS. A sponsor-supported Sydney social event follows the workshop day.
Open in Google MapsJoin us on Sydney Harbour
A full day of talks, spotlights and posters, capped by a community social event.
Previous edition
SIMBIOCHEM I — EurIPS 2025, Copenhagen
Our first edition brought the community together for a day of talks, spotlights and posters — with a DGX Spark best-paper award and five papers invited by Nature Portfolio editors for extended versions.
Explore the 1st edition>100
Attendees
29
Accepted posters
8
Spotlight talks
5
Nature-invited extended versions