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Yu, V. W., and M. Govoni, "GPU Acceleration of Large-Scale Full-Frequency GW Calculations," Journal of Chemical Theory and Computation (August 2022), ACS. doi: 10.1021/acs.jctc.2c00241

Jain, S. S., "Accurate Conservative Phase-Field Method for Simulation of Two-Phase Flows," Journal of Computational Physics (August 2022), Elsevier. doi: 10.1016/j.jcp.2022.111529

Trifan, A., D. Gorgun, M. Salim, Z. Li, A. Brace, M. Zvyagin, H. Ma, A. Clyde, D. Clark, D. J. Hardy, T. Burnley, L. Huang, J. McCalpin, M. Emani, H. Yoo, J. Yin, A. Tsaris, V. Subbiah, T. Raza, J. Liu, N. Trebesch, G. Wells, V. Mysore, T. Gibbs, J. Phillips, S. C. Chennubhotla, I. Foster, R. Stevens, A. Anandkumar, V. Vishwanath, J. E. Stone, E. Tajkhorshid, S. A. Harris, and A. Ramanathan, "Intelligent Resolution: Integrating Cryo-EM with AI-Driven Multi-Resolution Simulations to Observe the Severe Acute Respiratory Syndrome Coronavirus-2 Replication-Transcription Machinery in Action," The International Journal of High Performance Computing Applications (August 2022), SAGE Publications. doi: 10.1177/10943420221113513

Wu, X., V. Taylor, and Z. Lan, "Performance and Power Modeling and Prediction Using MuMMI and 10 Machine Learning Methods," Concurrency and Computation: Practice and Experience (August 2022), John Wiley and Sons. doi: 10.1002/cpe.7254

Mulligan, V. K., and P. Hosseinzadeh, "Computational Design of Peptide-Based Binders to Therapeutic Targets," Approaching the Next Inflection in Peptide Therapeutics: Attaining Cell Permeability and Oral Bioavailability (August 2022), ACS, pp. 55-102, . doi: 10.1021/bk-2022-1417.ch003

Wang, G., B. Kincaid, H. Zhou, A. Annaberdiyev, M. C. Bennett, J. T. Krogel, and L. Mitas, "A New Generation of Effective Core Potentials from Correlated and Spin-Orbit Calculations: Selected Heavy Elements," The Journal of Chemical Physics (August 2022), AIP. doi: 10.1063/5.0087300

Schwartz, J., C. Harris, J. Pietryga, H. Zheng, P. Kumar, A. Visheratina, N. A. Kotov, B. Major, P. Avery, P. Ercius, U. Ayachit, B. Geveci, D. A. Muller, A. Genova, Y. Jiang, M. Hanwell, and R. Hovden, "Real-Time 3D Analysis during Electron Tomography Using tomviz," Nature Communications (August 2022), Springer Nature. doi: 10.1038/s41467-022-32046-0

Bass, B., J. Larsen, B. Edwards, C. Mathis, and J. New, "Multi-Variable Parametric Analysis of Prototype Building Energy Performance Using Current and Future Weather Scenarios for Data-Driven Market Transformation Support," Oak Ridge National Laboratory (August 2022), U.S. Department of Energy

Albergo, M. S., D. Boyda, D. C. Cranmer, C. Hackett, G. Kanwar, S. Racaniére, D. J. Rezende, F. Romero-López, P. E. Shanahan, and J. M. Urban, "Flow-Based Sampling in the Lattice Schwinger Model at Criticality," Physical Review D (July 2022), APS. doi: 10.1103/physrevd.106.014514

Krishnamoorthy, A., K. Nomura, N. Baradwaj, K. Shimamura, R. Ma, S. Fukushima, F. Shimojo, R. K. Kalia, A. Nakano, and P. Vashishta, "Hydrogen Bonding in Liquid Ammonia," The Journal of Physical Chemistry Letters (July 2022), ACS. doi: 10.1021/acs.jpclett.2c01608

Guo, J., L. Ward, Y. Babuji, N. Hoyt, M. Williamson, I. Foster, N. Jackson, C. Benmore, and G. Sivaraman, "Composition-Transferable Machine Learning Potential for LiCl-KCl Molten Salts Validated by High-Energy X-ray Diffraction," Physical Review B (July 2022), APS. doi: 10.1103/PhysRevB.106.014209

Hosseini, R., F. Simini, and V. Vishwanath, "Operation-Level Performance Benchmarking of Graph Neural Networks for Scientific Applications," Fifth Conference on Machine Learning and Systems (July 2022), Santa Clara, CA, MLSys. doi: 10.48550/arXiv.2207.09955

Zheng, H., V. Vishwanath, Q. Koziol, H. Tang, J. Ravi, J. Mainzer, and S. Byna, "HDF5 Cache VOL: Efficient and Scalable Parallel I/O through Caching Data on Node-Local Storage," 2022 22nd IEEE International Symposium on Cluster, Cloud and Internet Computing (CCGrid) (July 2022), Taormina, Italy, IEEE. doi: 10.1109/CCGrid54584.2022.00015

Shilpika, S., B. Lusch, M. Emani, F. Simini, V. Vishwanath, M. E. Papka, and K.-L. Ma, "Toward an In-Depth Analysis of Multifidelity High Performance Computing Systems," 2022 22nd IEEE International Symposium on Cluster, Cloud and Internet Computing (CCGrid) (July 2022), Taormina, Italy, IEEE. doi: 10.1109/CCGrid54584.2022.00081

Kumar, V., and J. Larsson, "Modular Method for Estimation of Velocity and Temperature Profiles in High-Speed Boundary Layers," AIAA Journal (July 2022), AIAA. doi: 10.2514/1.J061735

Ivan, L., and W. Kaufmann, "Direct Numerical Simulation of Turbulent Flow Using Hyperbolic Moment Methods," ICCFD11 Proceedings (July 2022), Maui, HI, International Conference on Computational Fluid Dynamics

Marchildon, M., B. Allard, L. Ivan, and J. G. McDonald, "A Polydisperse Gaussian-Moment Method for Extended Statistical Modelling of Multiphase Flows," ICCFD11 Proceedings (July 2022), Maui, HI, International Conference on Computational Fluid Dynamics

Sankaranarayanan, S., B. Varughese, S. Manna, T. Loeffler, R. Batra, and M. Cherukara, "Transfer and Active Learning of High Dimensional Neural Network Potentials for Transition Metal Clusters and Bulk," Research Square (July 2022), Research Square. doi: 10.21203/rs.3.rs-1769974/v1

Kaufmann, W., and J. G. McDonald, "Large-Scale Investigation of 3D Discontinuous-Galerkin-Hancock Method for Hyperbolic Balance Laws with Stiff Local Sources," ICCFD11 Proceedings (July 2022), Maui, HI, International Conference on Computational Fluid Dynamics