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T. Smidt · SciRah

Researcher profile · Semantic Scholar

T. Smidt

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T. Smidt — researcher profile on SciRah

h-index: 30
Works: 90
Citations: 8,138

Most-cited papers

E(3)-equivariant graph neural networks for data-efficient and accurate interatomic potentials
Simon L. Batzner, Albert Musaelian, Li-Xin Sun, M. Geiger +5 more
2021Nature Communications2,543 citations Open access
Semantic Scholar
Tensor Field Networks: Rotation- and Translation-Equivariant Neural Networks for 3D Point Clouds
Nathaniel Thomas, T. Smidt, S. Kearnes, Lusann Yang +3 more
2018arXiv.org1,310 citations
Semantic Scholar
Equiformer: Equivariant Graph Attention Transformer for 3D Atomistic Graphs
Yi Liao, T. Smidt
2022International Conference on Learning Representations454 citations Open access
Semantic Scholar
EquiformerV2: Improved Equivariant Transformer for Scaling to Higher-Degree Representations
Yidong Liao, Brandon Wood, Abhishek Das, T. Smidt
2023International Conference on Learning Representations405 citations Open access
Semantic Scholar
Design and construction of the MicroBooNE detector
M. Acciarri, C. Adams, Rui An, A. Aparicio +235 more
2016399 citations Open access
Semantic Scholar
Atomate: A high-level interface to generate, execute, and analyze computational materials science workflows
K. Mathew, Joseph H. Montoya, Alireza Faghaninia, Shyam Dwarakanath +13 more
2017349 citations Open access
Semantic Scholar
e3nn: Euclidean Neural Networks
M. Geiger, T. Smidt
2022arXiv.org341 citations Open access
Semantic Scholar
Sign and Basis Invariant Networks for Spectral Graph Representation Learning
Derek Lim, J. Robinson, Lingxiao Zhao, T. Smidt +3 more
2022International Conference on Learning Representations228 citations
Semantic Scholar
Realization of a three-dimensional spin–anisotropic harmonic honeycomb iridate
K. Modic, T. Smidt, I. Kimchi, N. Breznay +13 more
2014Nature Communications196 citations Open access
Semantic Scholar
Artificial Intelligence for Science in Quantum, Atomistic, and Continuum Systems
Xuan Zhang, Limei Wang, Jacob Helwig, Youzhi Luo +59 more
2023Found. Trends Mach. Learn.192 citations Open access
Semantic Scholar
SE(3)-equivariant prediction of molecular wavefunctions and electronic densities
Oliver T. Unke, Mihail Bogojeski, M. Gastegger, M. Geiger +2 more
2021Neural Information Processing Systems140 citations
Semantic Scholar
Proposal for an electron antineutrino disappearance search using high-rate 8Li production and decay.
A. Bungau, A. Adelmann, J. Alonso, W. Barletta +15 more
2012Physical Review Letters109 citations Open access
Semantic Scholar
Machine Learning on Neutron and X-Ray Scattering
Zhantao Chen, Nina Andrejevic, Nathan C. Drucker, Thanh Nguyen +7 more
202192 citations Open access
Semantic Scholar
Direct Prediction of Phonon Density of States With Euclidean Neural Networks
Zhantao Chen, Nina Andrejevic, T. Smidt, Zhiwei Ding +6 more
2020Advancement of science89 citations Open access
Semantic Scholar
SE(3)-Equivariant Graph Neural Networks for Data-Ecient and Accurate Interatomic Potentials
Simon L. Batzner, T. Smidt, Lixin Sun, J. Mailoa +3 more
89 citations
Semantic Scholar
SE(3)-Equivariant Graph Neural Networks for Data-Efficient and Accurate Interatomic Potentials
Simon L. Batzner, T. Smidt, Lixin Sun, J. Mailoa +3 more
2021arXiv.org88 citations Open access
Semantic Scholar
Relevance of Rotationally Equivariant Convolutions for Predicting Molecular Properties
Benjamin Kurt Miller, M. Geiger, T. Smidt, Frank No'e
2020arXiv.org86 citations
Semantic Scholar
A recipe for cracking the quantum scaling limit with machine learned electron densities
Joshua A. Rackers, Lucas Tecot, M. Geiger, T. Smidt
2022Machine Learning: Science and Technology71 citations Open access
Semantic Scholar
Quantifying chemical short-range order in metallic alloys
Killian Sheriff, Yifan Cao, T. Smidt, Rodrigo Freitas
2023Proceedings of the National Academy of Sciences of the United States of America70 citations Open access
Semantic Scholar
High-performance training and inference for deep equivariant interatomic potentials
Chuin Wei Tan, Marc L. Descoteaux, Mit Kotak, Gabriel de Miranda Nascimento +10 more
2025Digital Discovery67 citations
Semantic Scholar
Finding Symmetry Breaking Order Parameters with Euclidean Neural Networks
T. Smidt, M. Geiger, Benjamin Kurt Miller
2020arXiv.org60 citations Open access
Semantic Scholar
Expression of Interest for a Novel Search for CP Violation in the Neutrino Sector: DAEdALUS
J. R. Alonso, F. Avignone, W. Barletta, R. Barlow +41 more
201060 citations
Semantic Scholar
Euclidean Symmetry and Equivariance in Machine Learning
T. Smidt
2020Trends in Chemistry57 citations Open access
Semantic Scholar
An automatically curated first-principles database of ferroelectrics
T. Smidt, S. Mack, S. Reyes-Lillo, Anubhav Jain +1 more
2020Scientific Data56 citations Open access
Semantic Scholar
Generative Coarse-Graining of Molecular Conformations
Wujie Wang, Minkai Xu, Chen Cai, Benjamin Kurt Miller +4 more
2022International Conference on Machine Learning52 citations
Semantic Scholar
Demonstration of a lightguide detector for liquid argon TPCs
L. Bugel, J. Conrad, C. Ignarra, B. J. P. Jones +3 more
201141 citations Open access
Semantic Scholar
Testing of cryogenic photomultiplier tubes for the MicroBooNE experiment
T. Briese, L. Bugel, J. Conrad, M. Fournier +12 more
201334 citations Open access
Semantic Scholar
Generalizing Denoising to Non-Equilibrium Structures Improves Equivariant Force Fields
Yiyi Liao, T. Smidt, Muhammed Shuaibi, Abhishek Das
2024Trans. Mach. Learn. Res.33 citations
Semantic Scholar
Machine learning magnetism classifiers from atomic coordinates
Helena A. Merker, H. Heiberger, Linh Nguyen, Tongtong Liu +8 more
2022iScience32 citations Open access
Semantic Scholar
Anisotropic 2D excitons unveiled in organic-inorganic quantum wells.
L. Maserati, S. Refaely-Abramson, C. Kastl, Christopher T. Chen +14 more
2021Materials Horizons30 citations Open access
Semantic Scholar
A Recipe for Charge Density Prediction
Xiang Fu, Andrew S. Rosen, Kyle Bystrom, Rui Wang +4 more
2024Neural Information Processing Systems28 citations
Semantic Scholar
A General Framework for Equivariant Neural Networks on Reductive Lie Groups
Ilyes Batatia, M. Geiger, J. Muñoz, T. Smidt +2 more
2023Neural Information Processing Systems28 citations Open access
Semantic Scholar
Discovering Symmetry Breaking in Physical Systems with Relaxed Group Convolution
Rui Wang, E. Hofgard, Hang Gao, Robin Walters +1 more
2023International Conference on Machine Learning25 citations
Semantic Scholar
Graph Partitioning and Sparse Matrix Ordering using Reinforcement Learning
Alice Gatti, Zhi-Xiong Hu, T. Smidt, E. Ng +1 more
2021Journal of machine learning research25 citations
Semantic Scholar
Symphony: Symmetry-Equivariant Point-Centered Spherical Harmonics for Molecule Generation
Ameya Daigavane, S. Kim, Mario Geiger, T. Smidt
2023International Conference on Learning Representations24 citations
Semantic Scholar
EquiJump: Protein Dynamics Simulation via SO(3)-Equivariant Stochastic Interpolants
Allan dos Santos Costa, Ilan Mitnikov, Franco Pellegrini, Ameya Daigavane +6 more
2024arXiv.org23 citations
Semantic Scholar
A new spin-anisotropic harmonic honeycomb iridate
K. Modic, T. Smidt, I. Kimchi, N. Breznay +15 more
201423 citations
Semantic Scholar
EquiformerV3: Scaling Efficient, Expressive, and General SE(3)-Equivariant Graph Attention Transformers
Yi Liao, Alexander J. Hoffman, Sabrina C. Shen, Alexandre Duval +2 more
2026arXiv.org22 citations
Semantic Scholar
The Price of Freedom: Exploring Expressivity and Runtime Tradeoffs in Equivariant Tensor Products
Yuqing Xie, Ameya Daigavane, Mit Kotak, T. Smidt
2025International Conference on Machine Learning22 citations
Semantic Scholar
Cost-effective Design Options for IsoDAR
A. Adelmann, L. Bartoszek, R. Barlow, A. Bungau +17 more
201220 citations Open access
Semantic Scholar
Deep Learning and Spectral Embedding for Graph Partitioning
Alice Gatti, Zhi-Xiong Hu, T. Smidt, E. Ng +1 more
2021PP17 citations Open access
Semantic Scholar
Phonon predictions with E(3)-equivariant graph neural networks
Shiang Fang, Mario Geiger, J. G. Checkelsky, T. Smidt
202416 citations
Semantic Scholar
Artificial Intelligence for Science in Quantum, Atomistic, and Continuum Systems
Xuan Zhang, Limei Wang, Jacob Helwig, Youzhi Luo +59 more
2023arXiv.org16 citations Open access
Semantic Scholar
Ligand‐Mediated Quantum Yield Enhancement in 1‐D Silver Organothiolate Metal–Organic Chalcogenolates
Mariya Aleksich, Yeongsu Cho, Daniel W. Paley, Maggie C. Willson +40 more
2024Advanced Functional Materials14 citations Open access
Semantic Scholar
PFT: Phonon Fine-tuning for Machine Learned Interatomic Potentials
Teddy Koker, A. Gangan, Mit Kotak, J. Marian +1 more
2026arXiv.org10 citations
Semantic Scholar
Training a Foundation Model for Materials on a Budget
Teddy Koker, Mit Kotak, T. Smidt
2025arXiv.org10 citations
Semantic Scholar
A Tale of Two Symmetries: Exploring the Loss Landscape of Equivariant Models
Yuqing Xie, T. Smidt
2025Neural Information Processing Systems10 citations
Semantic Scholar
Accelerating Protein Molecular Dynamics Simulation with DeepJump
Allan dos Santos Costa, Manvitha Ponnapati, Dana Rubin, T. Smidt +1 more
2025arXiv.org10 citations
Semantic Scholar
Equivariant Symmetry Breaking Sets
Yuqing Xie, T. Smidt
2024Trans. Mach. Learn. Res.9 citations
Semantic Scholar
Asymptotically Fast Clebsch-Gordan Tensor Products with Vector Spherical Harmonics
Yu-Qing Xie, Ameya Daigavane, Mit Kotak, T. Smidt
2026arXiv.org8 citations
Semantic Scholar

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