Recent advances in large-scale atomistic materials simulations. - Timothy C. Germann; Peter S. Lomdahl (Comput. Sci. Eng., 1999)

369 Tflop/s molecular dynamics simulations on the Roadrunner general-purpose heterogeneous supercomputer. - Sriram Swaminarayan; Kai Kadau; Timothy C. Germann; Gordon C. Fossum (SC, 2008)

BlueGene/L applications: Parallelism On a Massive Scale. - Bronis R. de Supinski; Martin Schulz 001; Vasily V. Bulatov; William H. Cabot; Bor Chan; Andrew W. Cook; Erik W. Draeger; James N. Glosli; Jeffrey A. Greenough; Keith W. Henderson; Alison Kubota; Steve Louis; et al. (Int. J. High Perform. Comput. Appl., 2008)

369 Tflop/s molecular dynamics simulations on the petaflop hybrid supercomputer 'Roadrunner'. - Timothy C. Germann; Kai Kadau; Sriram Swaminarayan (Concurr. Comput. Pract. Exp., 2009)

Spatial adaptive sampling in multiscale simulation. - Bertrand Rouet-Leduc; Kipton Barros; Emmanuel Cieren; Venmugil Elango; Christoph Junghans; Turab Lookman; Jamaludin Mohd-Yusof; Robert S. Pavel; Axel Y. Rivera; Dominic Roehm; Allen L. McPherson; Timothy C. Germann (Comput. Phys. Commun., 2014)

Database assisted distribution to improve fault tolerance for multiphysics applications. - Robert S. Pavel; Allen L. McPherson; Timothy C. Germann; Christoph Junghans (Co-HPC@SC, 2015)

Distributed Database Kriging for Adaptive Sampling (D2KAS). - Dominic Roehm; Robert S. Pavel; Kipton Barros; Bertrand Rouet-Leduc; Allen L. McPherson; Timothy C. Germann; Christoph Junghans (Comput. Phys. Commun., 2015)

The basic matrix library (BML) for quantum chemistry. - Nicolas Bock; Christian F. A. Negre; Susan M. Mniszewski; Jamaludin Mohd-Yusof; Bálint Aradi; Jean-Luc Fattebert; Daniel Osei-Kuffuor; Timothy C. Germann; Anders M. N. Niklasson (J. Supercomput., 2018)

Automated discovery of a robust interatomic potential for aluminum. - 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 (CoRR, 2020)

Performance Portability in the Exascale Computing Project: Exploration Through a Panel Series. - Anshu Dubey; Lois Curfman McInnes; Rajeev Thakur; Erik W. Draeger; Thomas M. Evans 001; Timothy C. Germann; William E. Hart (Comput. Sci. Eng., 2021)

Co-design in the Exascale Computing Project. - Timothy C. Germann (Int. J. High Perform. Comput. Appl., 2021)

A physics-informed and hierarchically regularized data-driven model for predicting fluid flow through porous media. - Kun Wang; Yu Chen; Mohammed Mehana; Nicholas Lubbers; Kane C. Bennett; Qinjun Kang; Hari S. Viswanathan; Timothy C. Germann (J. Comput. Phys., 2021)

Accurate Calibration of Agent-based Epidemiological Models with Neural Network Surrogates. - Rushil Anirudh; Jayaraman J. Thiagarajan; Peer-Timo Bremer; Timothy C. Germann; Sara Y. Del Valle; Frederick H. Streitz (Healthcare AI and COVID-19 Workshop, 2022)

Machine Learning-Powered Mitigation Policy Optimization in Epidemiological Models. - Jayaraman J. Thiagarajan; Rushil Anirudh; Peer-Timo Bremer; Timothy C. Germann; Sara Y. Del Valle; Frederick H. Streitz (Healthcare AI and COVID-19 Workshop, 2022)

Predictive Scale-Bridging Simulations through Active Learning. - Satish Karra; Mohammed Mehana; Nicholas Lubbers; Yu Chen; Abdourahmane Diaw; Javier E. Santos; Aleksandra Pachalieva; Robert S. Pavel; Jeffrey R. Haack; Michael M. McKerns; Christoph Junghans; Qinjun Kang; et al. (CoRR, 2022)

A survey of software implementations used by application codes in the Exascale Computing Project. - Thomas M. Evans 001; Andrew R. Siegel; Erik W. Draeger; Jack Deslippe; Marianne M. Francois; Timothy C. Germann; William E. Hart; Daniel F. Martin (Int. J. High Perform. Comput. Appl., 2022)

Cabana: A Performance Portable Library for Particle-Based Simulations. - Stuart R. Slattery; Samuel Temple Reeve; Christoph Junghans; Damien Lebrun-Grandié; Robert F. Bird; Guangye Chen; Shane Fogerty; Yuxing Qiu; Stephan Schulz 006; Aaron Scheinberg; Austin Isner; Kwitae Chong; et al. (J. Open Source Softw., 2022)

GLUE Code: A framework handling communication and interfaces between scales. - Aleksandra Pachalieva; Robert S. Pavel; Javier E. Santos; Abdourahmane Diaw; Nicholas Lubbers; Mohammed Mehana; Jeffrey R. Haack; Hari S. Viswanathan; Daniel Livescu; Timothy C. Germann; Christoph Junghans (J. Open Source Softw., 2022)

Evaluating disease surveillance strategies for early outbreak detection in contact networks with varying community structure. - Axel Browne; David Butts; Edgar Jaramillo-Rodriguez; Nidhi Parikh; Geoffrey Fairchild; Zach Needell; Cristian Poliziani; Tom Wenzel; Timothy C. Germann; Sara Y. Del Valle (Soc. Networks, 2024)

Corrigendum to "Evaluating disease surveillance strategies for early outbreak detection in contact networks with varying community structure" [Soc. Netw. 79 (2024) 122-132]. - Axel Browne; David Butts; Edgar Jaramillo-Rodriguez; Nidhi Parikh; Geoffrey Fairchild; Zach Needell; Cristian Poliziani; Tom Wenzel; Timothy C. Germann; Sara Y. Del Valle (Soc. Networks, 2025)