9 citations · 18 across the 5 of their papers we have counts for
4 papers · 1 filter
Speculative Sampling For Faster Molecular Dynamics
Arthur Kosmala, Stephan Günnemann, Meng Gao +1
Molecular dynamics (MD) is a key tool for simulating the dynamical behavior of atomic systems. However, MD is inherently serial, which makes it difficult to increase single-system…
Adjoint Sampling: Highly Scalable Diffusion Samplers via Adjoint Matching
Aaron Havens, Benjamin Kurt Miller, Bing Yan +10
We introduce Adjoint Sampling, a highly scalable and efficient algorithm for learning diffusion processes that sample from unnormalized densities, or energy functions. It is the fi…
FlowLLM: Flow Matching for Material Generation with Large Language Models as Base Distributions
Anuroop Sriram, Benjamin Kurt Miller, Ricky T. Q. Chen +1
Material discovery is a critical area of research with the potential to revolutionize various fields, including carbon capture, renewable energy, and electronics. However, the imme…
FlowMM: Generating Materials with Riemannian Flow Matching
Benjamin Kurt Miller, Ricky T. Q. Chen, Anuroop Sriram +1
Crystalline materials are a fundamental component in next-generation technologies, yet modeling their distribution presents unique computational challenges. Of the plausible arrang…