Teddy Koker
@teddykoker.com
PhD student at MIT; AI for materials. teddykoker.com
Introducing nequip-eqx, a JAX implementation of the popular NequIP interatomic potential model.
Repo: github.com/teddykoker/n...
The goal of the repository is to offer a simple (<1000 lines of code) implementation while providing competitive performance to existing codebases.
1/n
Repo: github.com/teddykoker/n...
The goal of the repository is to offer a simple (<1000 lines of code) implementation while providing competitive performance to existing codebases.
1/n
May 22, 2025 at 3:40 PM
Introducing nequip-eqx, a JAX implementation of the popular NequIP interatomic potential model.
Repo: github.com/teddykoker/n...
The goal of the repository is to offer a simple (<1000 lines of code) implementation while providing competitive performance to existing codebases.
1/n
Repo: github.com/teddykoker/n...
The goal of the repository is to offer a simple (<1000 lines of code) implementation while providing competitive performance to existing codebases.
1/n
Reposted by Teddy Koker
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
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
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
arxiv.org/abs/2504.06087