Nicholas Gao
n-gao.bsky.social
Nicholas Gao
@n-gao.bsky.social
PhD Student @TU_Munich
Machine Learning for Quantum Chemistry
Former: Intern @MSFTResearch AI4Science & Intern @NasaAmes
Reposted by Nicholas Gao
Call for Blog Posts: Submission deadline: Dec. 1st, 2025 23:59 AOE All information is now available: iclr-blogposts.github.io/2026/about/ Please RT!
Organizers:

@schwinnl.bsky.social @busycalibrating.bsky.social @jonkhler.argmin.xyz @n-gao.bsky.social @mhrnz.bsky.social & myself
about | ICLR Blogposts 2026
A simple, whitespace theme for academics. Based on [*folio](https://github.com/bogoli/-folio) design.
iclr-blogposts.github.io
September 22, 2025 at 7:47 AM
Reposted by Nicholas Gao
See last year's accepted blog posts: iclr-blogposts.github.io/2025/blog/in...
blog | ICLR Blogposts 2025
Home to the 2025 ICLR Blogposts track
iclr-blogposts.github.io
September 22, 2025 at 7:45 AM
Reposted by Nicholas Gao
Blog Posts are a great medium to share ML research. If you have new intuitions on past work, noticed key implementation details for reproducibility, have insights into the societal implications of AI, or an interesting negative result consider writing and submitting a blogpost.
September 22, 2025 at 7:45 AM
Reposted by Nicholas Gao
📣 Call for Blog Posts at #ICLR2026 @iclr_conf

Following the success of the past iterations, we are opening the Call for Blog Posts 2026!

iclr-blogposts.github.io/2026/about/#...

Please retweet!
abs-0.twimg.com
September 22, 2025 at 7:44 AM
Reposted by Nicholas Gao
I am very happy to share Orbformer, a foundation model for wavefunctions using deep QMC that offers a route to tackle strongly correlated quantum states!
arxiv.org/abs/2506.19960 (1/n)
An ab initio foundation model of wavefunctions that accurately describes chemical bond breaking
Reliable description of bond breaking remains a major challenge for quantum chemistry due to the multireferential character of the electronic structure in dissociating species. Multireferential method...
arxiv.org
June 26, 2025 at 8:58 AM
I am truly excited to share our latest work with @mscherbela.bsky.social, Philipp Grohs, and @guennemann on "Accurate Ab-initio Neural-network Solutions to Large-Scale Electronic Structure Problems"!

arxiv.org/abs/2504.06087
Accurate Ab-initio Neural-network Solutions to Large-Scale Electronic Structure Problems
We present finite-range embeddings (FiRE), a novel wave function ansatz for accurate large-scale ab-initio electronic structure calculations. Compared to contemporary neural-network wave functions, Fi...
arxiv.org
April 9, 2025 at 9:30 AM
Reposted by Nicholas Gao
Super happy & honored that our work on certifying NNs against poisoning won the Best Paper Award at AdvML-Frontiers@ #NeurIPS2024. Come by our poster 10:40am-12&4-5pm (or talk) today :)

Joint work w/ Mahalakshmi Sabanayagam, Debarghya Ghoshdastidar & Stephan Günnemann

L: arxiv.org/pdf/2407.10867
December 14, 2024 at 5:14 PM
Excited to present our work on Neural Pfaffians at #NeurIPS.

🗣️ Oral: Friday 3:30pm, East Ballroom A, B
📊 Post: Friday 4:30pm - 7:30pm, East Exhibit Hall A-C #3600
📝 Paper: openreview.net/forum?id=HRk...

Happy to chat!
December 9, 2024 at 5:23 PM
Reposted by Nicholas Gao
📣🔥Last chance to submit your work for the @iclr-conf.bsky.social 2025 Blogpost Track!

The deadline is November 22, 2024, at 23:59 AOE—don’t miss it!

For any inquiries, feel free to reach out to us at: [email protected].

iclr.cc/Conferences/...

#MachineLearning
Call for Blog Posts
iclr.cc
November 19, 2024 at 1:31 PM