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Justin S. Smith
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Journal Articles
- 2025
[j3]Luan G. F. dos Santos
, Benjamin T. Nebgen, Alice E. A. Allen, Brenden W. Hamilton
, Sakib Matin, Justin S. Smith, Richard A. Messerly
:
Improving Bond Dissociations of Reactive Machine Learning Potentials through Physics-Constrained Data Augmentation. J. Chem. Inf. Model. 65(3): 1198-1210 (2025)- 2023
[j2]Maksim Kulichenko, Kipton Barros
, Nicholas Lubbers, Ying Wai Li, Richard A. Messerly, Sergei Tretiak, Justin S. Smith, Benjamin T. Nebgen
:
Uncertainty-driven dynamics for active learning of interatomic potentials. Nat. Comput. Sci. 3(3): 230-239 (2023)- 2020
[j1]Xiang Gao
, Farhad Ramezanghorbani
, Olexandr Isayev
, Justin S. Smith, Adrian E. Roitberg
:
TorchANI: A Free and Open Source PyTorch-Based Deep Learning Implementation of the ANI Neural Network Potentials. J. Chem. Inf. Model. 60(7): 3408-3415 (2020)
Conference and Workshop Papers
- 2025
[c9]Jesun Sahariar Firoz
, Franco Pellegrini
, Mario Geiger
, Darren Hsu
, Jenna A. Bilbrey
, Han-Yi Chou
, Maximilian Stadler
, Markus Höhnerbach
, Tingyu Wang
, Dejun Lin
, Emine Küçükbenli
, Henry W. Sprueill
, Ilyes Batatia
, Sotiris S. Xantheas
, MalSoon Lee
, Christopher J. Mundy
, Gábor Csányi
, Justin S. Smith
, Ponnuswamy Sadayappan
, Sutanay Choudhury
:
Optimizing Data Distribution and Kernel Performance for Efficient Training of Chemistry Foundation Models: A Case Study with MACE. HPDC 2025: 8:1-8:13- 2023
[c8]Shiyu Feng, Ziyi Zhou, Justin S. Smith, Max Asselmeier, Ye Zhao, Patricio A. Vela:
GPF-BG: A Hierarchical Vision-Based Planning Framework for Safe Quadrupedal Navigation. ICRA 2023: 1968-1975
[c7]Justin S. Smith, Patricio A. Vela:
AeriaLPiPS: A Local Planner for Aerial Vehicles with Geometric Collision Checking. ICRA 2023: 4092-4098- 2021
[c6]Haoxin Ma, Justin S. Smith, Patricio A. Vela:
NavTuner: Learning a Scene-Sensitive Family of Navigation Policies. IROS 2021: 492-499- 2020
[c5]Yipu Zhao, Justin S. Smith, Sambhu H. Karumanchi, Patricio A. Vela
:
Closed-Loop Benchmarking of Stereo Visual-Inertial SLAM Systems: Understanding the Impact of Drift and Latency on Tracking Accuracy. ICRA 2020: 1105-1112
[c4]Justin S. Smith, Ruoyang Xu
, Patricio A. Vela
:
egoTEB: Egocentric, Perception Space Navigation Using Timed-Elastic-Bands. ICRA 2020: 2703-2709- 2017
[c3]Justin S. Smith, Patricio A. Vela
:
PiPS: Planning in perception space. ICRA 2017: 6204-6209- 2015
[c2]Justin S. Smith, Crystal Chao, Andrea Lockerd Thomaz:
Real-time changes to social dynamics in human-robot turn-taking. IROS 2015: 3024-3029- 2014
[c1]Crystal Chao, Justin S. Smith, Andrea Thomaz:
CADENCE for Collaboration and Companionship with Robots. AAAI Fall Symposia 2014
Informal and Other Publications
- 2025
[i9]Jesun Firoz, Franco Pellegrini, Mario Geiger, Darren Hsu, Jenna A. Bilbrey, Han-Yi Chou, Maximilian Stadler, Markus Hoehnerbach, Tingyu Wang, Dejun Lin, Emine Küçükbenli, Henry W. Sprueill, Ilyes Batatia, Sotiris S. Xantheas, MalSoon Lee, Chris Mundy, Gábor Csányi, Justin S. Smith, Ponnuswamy Sadayappan, Sutanay Choudhury:
Optimizing Data Distribution and Kernel Performance for Efficient Training of Chemistry Foundation Models: A Case Study with MACE. CoRR abs/2504.10700 (2025)- 2021
[i8]Haoxin Ma, Justin S. Smith, Patricio A. Vela:
NavTuner: Learning a Scene-Sensitive Family of Navigation Policies. CoRR abs/2103.01464 (2021)- 2020
[i7]Yipu Zhao, Justin S. Smith, Sambhu H. Karumanchi, Patricio A. Vela:
Closed-Loop Benchmarking of Stereo Visual-Inertial SLAM Systems: Understanding the Impact of Drift and Latency on Tracking Accuracy. CoRR abs/2003.01317 (2020)
[i6]Justin S. Smith, Benjamin T. Nebgen, Nithin Mathew, Jie Chen, Nicholas Lubbers, Leonid Burakovsky, Sergei Tretiak, Hai Ah Nam, Timothy C. Germann, Saryu Fensin, Kipton Barros:
Automated discovery of a robust interatomic potential for aluminum. CoRR abs/2003.04934 (2020)
[i5]Yipu Zhao, Justin S. Smith, Patricio A. Vela:
Good Graph to Optimize: Cost-Effective, Budget-Aware Bundle Adjustment in Visual SLAM. CoRR abs/2008.10123 (2020)- 2019
[i4]Alexander H. Chang, Shiyu Feng, Yipu Zhao, Justin S. Smith, Patricio A. Vela:
Autonomous, Monocular, Vision-Based Snake Robot Navigation and Traversal of Cluttered Environments using Rectilinear Gait Motion. CoRR abs/1908.07101 (2019)- 2018
[i3]Justin S. Smith, Jin-Ha Hwang, Fu-Jen Chu, Patricio A. Vela:
Learning to Navigate: Exploiting Deep Networks to Inform Sample-Based Planning During Vision-Based Navigation. CoRR abs/1801.05132 (2018)
[i2]Justin S. Smith, Ben Nebgen, Nicholas Lubbers, Olexandr Isayev, Adrian E. Roitberg:
Less is more: sampling chemical space with active learning. CoRR abs/1801.09319 (2018)- 2017
[i1]Justin S. Smith, Olexandr Isayev, Adrian E. Roitberg:
ANI-1: A data set of 20M off-equilibrium DFT calculations for organic molecules. CoRR abs/1708.04987 (2017)
Coauthor Index

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