Kin Long Kelvin Lee

15 papers A* 2Journal 12Unranked 1

Year	Rank	Type	Title / Venue / Authors
2025	J	`jnl`	Energy & Force Regression on DFT Trajectories is Not Enough for Universal Machine Learning Interatomic Potentials. CoRR Santiago Miret, Kin Long Kelvin Lee, Carmelo Gonzales, Sajid Mannan, N. M. Anoop Krishnan
2025	J	`jnl`	Evaluating Universal Machine Learning Force Fields Against Experimental Measurements. CoRR Sajid Mannan, Vaibhav Bihani, Carmelo Gonzales, Kin Long Kelvin Lee, Nitya Nand Gosvami, Sayan Ranu, Santiago Miret, N. M. Anoop Krishnan
2025	J	`jnl`	OXtal: An All-Atom Diffusion Model for Organic Crystal Structure Prediction. CoRR Emily Jin, Andrei Cristian Nica, Mikhail Galkin, Jarrid Rector-Brooks, Kin Long Kelvin Lee, Santiago Miret, Frances H. Arnold, Michael M. Bronstein, Avishek Joey Bose, Alexander Tong, Cheng-Hao Liu
2025	A*	`conf`	Stiefel Flow Matching for Moment-Constrained Structure Elucidation. ICLR Austin Henry Cheng, Alston Lo, Kin Long Kelvin Lee, Santiago Miret, Alán Aspuru-Guzik
2025	A*	`conf`	SymmCD: Symmetry-Preserving Crystal Generation with Diffusion Models. ICLR Daniel Levy, Siba Smarak Panigrahi, Sékou-Oumar Kaba, Qiang Zhu, Kin Long Kelvin Lee, Mikhail Galkin, Santiago Miret, Siamak Ravanbakhsh
2025	J	`jnl`	SymmCD: Symmetry-Preserving Crystal Generation with Diffusion Models. CoRR Daniel Levy, Siba Smarak Panigrahi, Sékou-Oumar Kaba, Qiang Zhu, Kin Long Kelvin Lee, Mikhail Galkin, Santiago Miret, Siamak Ravanbakhsh
2024	J	`jnl`	Accelerating Quantum Emitter Characterization with Latent Neural Ordinary Differential Equations. CoRR Andrew H. Proppe, Kin Long Kelvin Lee, Weiwei Sun, Chantalle J. Krajewska, Oliver Tye, Moungi G. Bawendi
2024	J	`jnl`	Deconstructing equivariant representations in molecular systems. CoRR Kin Long Kelvin Lee, Michael Galkin, Santiago Miret
2024	J	`jnl`	Stiefel Flow Matching for Moment-Constrained Structure Elucidation. CoRR Austin H. Cheng, Alston Lo, Kin Long Kelvin Lee, Santiago Miret, Alán Aspuru-Guzik
2023	J	`jnl`	Artificial Intelligence for Scientific Discovery at High-Performance Computing Scales. Computer Kin Long Kelvin Lee, Nalini Kumar
2023	J	`jnl`	MatSciML: A Broad, Multi-Task Benchmark for Solid-State Materials Modeling. CoRR Kin Long Kelvin Lee, Carmelo Gonzales, Marcel Nassar, Matthew Spellings, Mikhail Galkin, Santiago Miret
2023	J	`jnl`	The Open MatSci ML Toolkit: A Flexible Framework for Machine Learning in Materials Science. Trans. Mach. Learn. Res. Santiago Miret, Kin Long Kelvin Lee, Carmelo Gonzales, Marcel Nassar, Matthew Spellings
2023	—	`conf`	Towards Foundation Models for Materials Science: The Open MatSci ML Toolkit. SC Workshops Kin Long Kelvin Lee, Carmelo Gonzales, Matthew Spellings, Mikhail Galkin, Santiago Miret, Nalini Kumar
2023	J	`jnl`	ρ-Diffusion: A diffusion-based density estimation framework for computational physics. CoRR Maxwell X. Cai, Kin Long Kelvin Lee
2022	J	`jnl`	The Open MatSci ML Toolkit: A Flexible Framework for Machine Learning in Materials Science. CoRR Santiago Miret, Kin Long Kelvin Lee, Carmelo Gonzales, Marcel Nassar, Matthew Spellings