Tiihonen, J., P. R. C. Kent, and J. T. Krogel, "Surrogate Hessian Accelerated Structural Optimization for Stochastic Electronic Structure Theories," The Journal of Chemical Physics (February 2022), AIP. doi: 10.1063/5.0079046

Huang, B., C. González-Zacarías, S. S. Güitrón, A. Aslam, S. G. Biedron, K. Bronw, and T. Bolin, "Artificial Intelligence-Assisted Design and Virtual Diagnostic for the Initial Condition of a Storage-Ring-Based Quantum Information System," IEEE Access (February 2022), IEEE. doi: 10.1109/ACCESS.2022.3147727

Thompson, A. P., H. M. Aktulga, R. Berger, D. S. Bolintineanu, W. M. Brown, P. S. Crozier, P. J. in 't Veld, A. Kohlmeyer, S. G. Moore, T. D. Nguyen, R. Shan, M. J. Stevens, J. Tranchida, C. Trott, and S. J. Plimpton, "LAMMPS - A Flexible Simulation Tool for Particle-Based Materials Modeling at the Atomic, Meso, and Continuum Scales," Computer Physics Communications (February 2022), Elsevier. doi: 10.1016/j.cpc.2021.108171

Elhatisari, S., T. A. Lähde, D. Lee, U.-G. Meißner, and T. Vonk , "Alpha-Alpha Scattering in the Multiverse," Journal of High Energy Physics (February 2022), Springer Nature. doi: 10.1007/JHEP02

Impagnatiello, M., M. Bolla, K. Keskinen, G. Giannakopoulos, C. E. Frouzakis, Y. M. Wright, and K. Boulochos, "Systematic Assessment of Data-Driven Approaches for Wall Heat Transfer Modelling for LES in IC Engines Using DNS Data," International Journal of Heat and Mass Transfer (February 2022), vol. 183, no. B, Elsevier. doi: 10.1016/j.ijheatmasstransfer.2021.122109

Ye, Z., C. Zhang, and G. Galli, "Photoelectron Spectra of Water and Simple Aqueous Solutions at Extreme Conditions," Faraday Discussions (January 2022), Royal Society of Chemistry. doi: 10.1039/D2FD00003B

Schwartz, J., Z. W. Di, Y. Jiang, A. J. Fielitz, D.-H. Ha, S. D. Perera, I. El Baggari, R. D. Robinson, J. A. Fessler, C. Ophus, S. Rozeveld, and R. Hovden, "Imaging Atomic-Scale Chemistry from Fused Multi-Modal Electron Microscopy," npj Computational Materials (January 2022), Springer Nature. doi: 10.1038/s41524-021-00692-5

Drobchik, A. N., V. V. Nikitin, M. I. Fokin, G. A. Dugarov, A. L. Shevchenko, A. L. Deriy, A. Y. Manikov, K. E. Kuper, and A.A. Duchtov, "Environmental Cell for In Situ X-ray Synchrotron Micro-CT Imaging with Simultaneous Acoustic Measurements," Journal of Synchrotron Radiation (January 2022), International Union of Crystallography. doi: 10.1107/s1600577521013308

Sudharsan, S., B. Ganapathysubramanian, and A. Sharma, "A Vorticity-Based Criterion to Characterise Leading Edge Dynamic Stall Onset," Journal of Fluid Mechanics (January 2022), Cambridge University Press. doi: 10.1017/jfm.2021.1149

Van Duuren, L. A., J. Ozik, R. Spliet, N. T. Collier, I. Lansdorp-Vogelaar, and R. G. S. Meester, "An Evolutionary Algorithm to Personalize Stool-Based Colorectal Cancer Screening," Frontiers in Physiology (January 2022), Frontiers Media SA. doi: 10.3389/fphys.2021.718276

Saidi, W. A., "Optimizing the Catalytic Activity of Pd-Based Multinary Alloys toward Oxygen Reduction Reaction," The Journal of Physical Chemistry Letters (January 2022), vol. 13, ACS Publications. doi: 10.1021/acs.jpclett.1c04128

Vorabbi, M., M. Gennari, P. Finelli, C. Giusti, P. Navrátil, and R. Machleidt, "Elastic Proton Scattering Off Nonzero Spin Nuclei," Physical Review C (January 2022), APS. doi: 10.1103/PhysRevC.105.014621

Manna, S., T. D. Loeffler, R. Batra, S. Banik, H. Chan, B. Varughese, K. Sasikumar, M. Sternberg, T. Peterka, M. J. Cherukara, S. K. Gray, B. G. Sumpter, and S. K. R. S. Sankaranarayanan, "Learning in Continuous Action Space for Developing High Dimensional Potential Energy Models," Nature Communications (January 2022), Springer Nature. doi: 10.1038/s41467-021-27849-6

Bosilca, G., A. Bouteiller, T. Herault, V. Le Févre, Y. Robert, and J. Dongarra, "Comparing Distributed Termination Detection Algorithms for Modern HPC Platforms," International Journal of Networking and Computing (January 2022), vol. 12, no. 1, International Journal of Networking and Computing . doi: 10.15803/ijnc.12.1_26

Andreoli, L., J. Carlson, A. Lovato, S. Pastore, N. Rocco, and R. B. Wiringa, "Electron Scattering on A=3 Nuclei from Quantum Monte Carlo Based Approaches," Physical Review C (January 2022), APS. doi: 10.1103/physrevc.105.014002

Malbrunot-Ettenauer, S., S. Kaufmann, S. Bacca, C. Barbieri, J. Billowes, M. L. Bissell, K. Blaum, B. Cheal, T. Duguet, R. F. Garcia Ruiz, W. Gins, C. Gorges, G. Hagen, H. Heylen, J. D. Holt, G. R. Jansen, A. Kanellakopoulos, M. Kortelainen, T. Miyagi, P. Navrátil, W. Nazarewicz, R. Neugart, G. Neyens, W. Nörtershäuser, S. J. Novario, T. Papenbrock, T. Ratajczyk, P.-G. Reinhard, L. V. Rodríguez, R. Sánchez, S. Sailer, A. Schwenk, J. Simonis, V. Somà, S. R. Stroberg, L. Wehner, C. Wraith, L. Xie, Z. Y. Xu, X. F. Yang, and D. T. Yordanov, "Nuclear Charge Radii of the Nickel Isotopes 58−68,70Ni," Physical Review Letters (January 2022), APS. doi: 10.1103/PhysRevLett.128.022502

Berres, A. S., B. C. Bass, M. B. Adams, E. Garrison, and J. R. New, "A Data-Driven Approach to Nation-Scale Building Energy Modeling," 2021 IEEE International Conference on Big Data (Big Data) (January 2022), Orlando, FL, IEEE. doi: 10.1109/BigData52589.2021.9671786

Feldman, C., B. Michalowicz, E. Siegmann, T. Curtis, A. Calder, and R. Harrison, "Experiences with Porting the FLASH Code to Ookami, an HPE Apollo 80 A64FX Platform," HPCAsia 2022 Workshop: International Conference on High Performance Computing in Asia-Pacific Region Workshops (January 2022), ACM. doi: 10.1145/3503470.3503478

Bayerl, B., C. M., Andolina ,S. Dwaraknath, and W. A. Saidi, "Convergence Acceleration in Machine Learning Potentials for Atomistic Simulations," Digital Discovery (January 2022), Royal Society of Chemistry. doi: 10.1039/d1dd00005e

Ashwin Renganathan, S., R. Maulik, S. Letizia, and G. Valerio Iungo, "Data-Driven Wind Turbine Wake Modeling via Probabilistic Machine Learning," Neural Computing and Applications (January 2022), Springer Nature. doi: 10.1007/s00521-021-06799-6