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Mengqiao Li, Dairong Liu, Xing Chen, Zhihong Yin, Hongchen Shen, Ashlee Aiello, Kevin R. McKenzie Jr., Nan Jiang, Xue Li, Michael J. Wagner, David P. Durkin, Hanning Chen, and Danmeng Shuai, "Radical-Driven Decomposition of Graphitic Carbon Nitride Nanosheets: Light Exposure Matters," Environmental Science & Technology (September 2021), vol. 55, no. 18, ACS Publications, pp. 12414-12423, . doi: 10.1021/acs.est.1c03804

Bass, Brett, New, Joshua R., Ezell, Evan, Im, Piljae, Garrison, Eric, Copeland, William , "Utility-scale Building Type Assignment Using Smart Meter Data," Conference: Building Simulation Conference (BuildSim 2021) (September 2021), OSTI

Daniel R. Moberg, Ahren W. Jasper, "Permutationally Invariant Polynomial Expansions with Unrestricted Complexity," Journal of Chemical Theory and Computation (September 2021), vol. 17, no. 9, ACS Publications, pp. 5440-5455, . doi: 10.1021/acs.jctc.1c00352

Zhi Hong, Gregory Pauloski, Logan Ward, Kyle Chard, Ben Blaiszik, Ian Foster, "Models and Processes to Extract Drug-like Molecules From Natural Language Text," Frontiers in Molecular Biosciences (August 2021), Frontier Media. doi: 10.3389/fmolb.2021.636077

Alexander Brace, Michael Salim, Vishal Subbiah, Heng Ma, Murali Emani, Anda Trifa, Austin R. Clyde, Corey Adams, Thomas Uram, Hyunseung Yoo, Andew Hock, Jessica Liu, Venkatram Vishwanath, Arvind Ramanathan, "Stream-AI-MD: streaming AI-driven adaptive molecular simulations for heterogeneous computing platforms," PASC '21: Proceedings of the Platform for Advanced Scientific Computing Conference (August 2021), no. 6, Geneva, Switzerland, ACM Digital Library. doi: 10.1145/3468267.3470578

Lin Fu, Sanjeeb Bose, Parviz Moin , "Prediction of aerothermal characteristics of a generic hypersonic inlet flow," Theoretical and Computational Fluid Dynamics (August 2021), no. 307, Springer Nature. doi: 10.1007/s00162-021-00587-7

Yu Jin, Marco Govoni, Gary Wolfowicz, Sean E. Sullivan, F. Joseph Heremans, David D. Awschalom, Giulia Galli, "Photoluminescence spectra of point defects in semiconductors: Validation of first-principles calculations," Physical Review Materials (August 2021), no. 5, APS, pp. 084603, . doi: 10.1103/PhysRevMaterials.5.084603

Christopher M. Andolina,Jacob G. Wright,Nishith Das,Wissam A. Saidi, "Improved Al-Mg alloy surface segregation predictions with a machine learning atomistic potential," Physical Review Materials (August 2021), vol. 5, no. 8, APS. doi: 10.1103/physrevmaterials.5.083804

Nadish Saini, Igor A. Bolotnov, "Detailed Analysis of the Effects of Spacer Grid and Mixing Vanes on Turbulence in a PWR Subchannel Under DFFB Conditions Based on DNS Data," Nuclear Technology (August 2021), Taylor & Francis Online. doi: 10.1080/00295450.2021.1974279

Morfouace, C. Santamaria, S. Sweany, M.B. Tsang, T. Tsang, K. Zhu, S.A. Kuvin, D. McNeel, J. Smith, A.H. Wousmaa, Z. Chajecki, , "Using spin alignment of inelastically excited nuclei in fast beams to assign spins: The spectroscopy of 13 O as a test case," Physical Review C (August 2021), vol. 104, APS, pp. 024325, . doi: 10.1103/PhysRevC.104.024325

Javier Lopez-Gomez, Jakob Blomer, "Exploring Object Stores for High-Energy Physics Data Storage," EPJ Web (August 2021), vol. 251, no. 02066, EDP Sciences. doi: 10.1051/epjconf/202125102066

Jonas Buchmeier, Alexander Bumann, Xiangyu Gao, Ivan Bermejo-Moreno, "Geometry and dynamics of passive scalar structures in compressible turbulent mixing," Physics of Fluids (August 2021), vol. 33, no. 10, AIP Publishing, pp. 105126, . doi: 10.1063/5.0068010

Andre Merzky, Matteo Turilli, Mikhail Titov, Aymen Al Saadi, Shantenu Jha, "Design and Performance Characterization of RADICAL-Pilot on Leadership-class Platforms," IEEE Transactions on Parallel and Distributed Systems (August 2021), IEEE. doi: 10.1109/TPDS.2021.3105994

B. Hamzi,R. Maulik,H. Owhadi, "Simple, low-cost and accurate data-driven geophysical forecasting with learned kernels," Proceedings of the Royal Society A Mathematical, Physical, and Engineering Sciences (August 2021), vol. 477, no. 2252, The Royal Society. doi: 10.1098/rspa.2021.0326

Yongfei Wang, Christine Goulet, "Validation of Fault Displacements from Dynamic Rupture Simulations against the Observations from the 1992 Landers Earthquake ," Bulletin of the Seismological Society of America (August 2021), GeoScience World. doi: 10.1785/0120210082

Manoj K. Jana, Ruyi Song, Yi Xie, Rundong Zhao, Peter C. Sercel, Volker Blum & David B. Mitzi, "Structural descriptor for enhanced spin-splitting in 2D hybrid perovskites," Nature Communications (August 2021), vol. 12, Nature Communications. doi: 10.1038/s41467-021-25149-7

Paul Froese, Petr Navratil, "Ab initio calculations of electric dipole moments of light nuclei," Physical Review C (August 2021), no. 104, APS, pp. 025502, . doi: 10.1103/PhysRevC.104.025502

Saadi, D. Alfe, Y. Babuji, A. Bhati, B. Blaiszik, T. Brettin, K. Chard, R. Chard, P. Coveney, A. Trifan, A. Brace, A. Clyde, I. Foster, T. Gibbs, S. Jha, K. Keipert, T. Kurth, D. Kranzlmüller, H. Lee, Z. Li, H. Ma, A. Merzky, G. Mathias, A. Partin, J. Yin, A. Ramanathan, A. Shah, A. Stern, R. Stevens, L. Tan, M. Titov, A. Tsaris, M. Turilli, H. V. Dam, S. Wan, D. Wifling, "IMPECCABLE: Integrated Modeling PipelinE for COVID Cure by Assessing Better LEads," ICPP 2021: 50th International Conference on Parallel Processing (August 2021), no. 40, ACM Digital Library, pp. 1-12, . doi: 10.1145/3472456.3473524

J. E. Sobczyk, B. Acharya, S. Bacca, G. Hagen, "Ab Initio Computation of the Longitudinal Response Function in 40 Ca," Physical Review Letters (August 2021), no. 127, APS, pp. 072501, . doi: 10.1103/PhysRevLett.127.072501