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Andreas Burger

@andreasburger.bsky.social

194 followers 393 following 4 posts

PhD in Toronto 🇨🇦 Simulating tiny things with ML and Quantum Computing 🧪 Ex: Singapore, Munich, Vienna 🇦🇹

Andreas Burger @andreasburger.bsky.social · 16/10/2025

For higher-order derivatives, such as hyperpolarizability, the speed advantage of a HIP-style direct prediction approach would be even larger!

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Andreas Burger @andreasburger.bsky.social · 16/10/2025

Thank you! Cool idea. In principle, other second-order derivatives could similarly be predicted. The speedup compared to autodiff depends on the dimensionality of the object; for most, it won't be as large as for the Hessian.

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Andreas Burger @andreasburger.bsky.social · 22/04/2025

DEQuify your force field: More efficient simulations using deep equilibrium models

t.co

https://openreview.net/forum?id=XACVRYePQQ&noteId=pwGnz62106

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Andreas Burger @andreasburger.bsky.social · 22/04/2025

ICLR Singapore 🇸🇬 Hit me up to talk about neural samplers and anything to replace molecular dynamics ⚛️ Also I'll talk about how to speedup molecular dynamics using deep equilibrium models (borrowing ideas from DFT) ➡️ AI4Mat Workshop, 28th 11:00 a.m.

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