Cooper pairings in superconducting Dirac semimetals? Photoswitchable ligands and photodruggable proteins? Starburst galaxy mergers? This month’s selection of publications featuring research using the MGHPCC.
Auer, Benjamin et al (2023), Mesh modeling of system geometry and anatomy phantoms for realistic GATE simulations and their inclusion in SPECT reconstruction, IOPScience, Physics in Medicine and Biology, doi: 10.1088/1361-6560/acbde2
Axelrod, Simon et al (2023), Mapping the space of photoswitchable ligands and photodruggable proteins with computational modeling, arXiv: 2302.11490 [physics.chem-ph]
Bulekov, Alexander et al (2023), No Grammar, No Problem: Towards Fuzzing the Linux Kernel without System-Call Descriptions, Network and Distributed System Security (NDSS) Symposium 2023, doi: 10.14722/ndss.2023.24688
Card, Daren C. et al (2023), Genome Evolution and the Future of Phylogenomics of Non-Avian Reptiles, Animals, doi: 10.3390/ani13030471
Chaudhary, Gaurav et al (2023), Learning to write with the fluid rope trick, arXiv: 2302.05853 [physics.flu-dyn]
Chaves, Anderson S. et al (2023), Semiclassical Electron and Phonon Transport from First Principles: Application to Layered Thermoelectrics, arXiv: 302.00202 [ cond-mat.mtrl-sci]
He, Hao et al (2023), Molecular gas and star formation in nearby starburst galaxy mergers, arXiv: 2301.13250 [astro-ph.GA]
He, Qilin et al (2023), Grafting-To and From for Multiplexed Chemical-Warfare-Agent Responsive Polymer Brushes, Chem. Mater., doi: 10.1021/acs.chemmater.2c03405
Kadek, Marius et al (2023), Band structures and Z2 invariants of 2D transition metal dichalcogenide monolayers from fully-relativistic Dirac–Kohn–Sham theory using Gaussian-type orbitals, arXiv: 2302.00041 [cond-mat.strl-sci]
Mehta, R.S. et al (2023), Gut microbial metabolism of 5-ASA diminishes its clinical efficacy in inflammatory bowel disease, Nat. Med., doi: 10.1038/s41591-023-02217-7
Mohebujjaman, Muhammad et al (2023), Scalability analysis of direct and iterative solvers used to model charging of superconducting pancake solenoids, IOPScience, Engineering Research Express doi: 10.1088/2631-8695/acbd85
Nabizadeh, Mohammad et al (2023), Network physics of attractive colloidal gels: Resilience, Rigidity, and Phase Diagram, arXiv: 2301.13027 [cond-matt.soft]
Stuyver, Thijs and Connor Coley (2023), Machine Learning-Guided Computational Screening of New Candidate Reactions with High Bioorthogonal Click Potential, Chem. Eur. J., doi: 10.1002/chem.202300387
Tec, Mauricio et al (2023), Causal Shift-Response Functions with Neural Networks: The Health Benefits of Lowering Air Quality Standards in the US, arXiv: 2302.02560 [cs.LG]
Vuong, Van-Quan and Qiang Cui (2023), Reparameterization of the Chemical-Potential Equalization Model with DFTB3: A Practical Balance Between Accuracy and Transferability, The Journal of Chemical Physics, doi: 10.1063/5.0132903
Wolf, Lawrence and Walter Thiel (2022), Computational Investigations into the Mechanisms of Trans-Selective Hydrogenation and Hydrometalation of Alkynes, Organometallics, doi: 10.1021/bk-2019-1317.ch003
Xu, Haowei et al (2023), Two-Photon Interface of Nuclear Spins Based on the Optonuclear Quadrupolar Effect, Physical Review X, doi: 10.1103/PhysRevX.13.011017
Yahyavi, Mohammad et al (2023), Transverse circular photogalvanic effect associated with Lorentz-violating Weyl fermions, arXiv: 2301.00958
Yang, Xian P. et al (2023), Coexistence of bulk-nodal and surface-nodeless Cooper pairings in a superconducting Dirac semimetal, arXiv: 2301.01402
Yu, Houlin et al (2023), Conservation and Expansion of Transcriptional Factor Repertoire in the Fusarium oxysporum Species Complex, biorXiv, doi: 10.1101/2023.02.09.527873
Zavatone-Veth, Jacob A. et al (2023), Neural networks learn to magnify areas near decision boundaries, arXiv: 2301.11375 [cs.LG]
Zhu, Yanglin et al (2023), Surprisingly large anomalous Hall effect and giant negative magnetoresistance in half topological semimetals, arXiv: 2301.01704
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