What's new from BICEP/Keck? Staphylococcal Nuclease Mutants? Fermi arcs and Weyl nodes? This month's selection of publications featuring research using the MGHPCC.
BICEP/ Keck Collaboration (2022), BICEP/Keck XV: The BICEP3 Cosmic Microwave Background Polarimeter and the First Three-year Data Set, The Astrophysical Journal, doi: 10.3847/1538-4357/ac4886
Darren Demapan, Jörg Kussmann, Christian Ochsenfeld, and Qiang Cui (2022), Factors That Determine the Variation of Equilibrium and Kinetic Properties of QM/MM Enzyme Simulations: QM Region, Conformation, and Boundary Condition, J. Chem. Theory Comput., doi: 10.1021/acs.jctc.1c00714
Jiahua Deng and Qiang Cui (2022), Electronic Polarization Is Essential for the Stabilization and Dynamics of Buried Ion Pairs in Staphylococcal Nuclease Mutants, J. Am. Chem. Soc., doi: 10.1021/jacs.2c00312
Marc Healy, John Rogan, Lara A. Roman, Sabine Nix, Deborah G. Martin & Nicholas Geron (2022), Historical Urban Tree Canopy Cover Change in Two Post-Industrial Cities, Environmental Management, doi: 10.1007/s00267-022-01614-x
Yinqiu Ji et al (2022), Measuring protected-area effectiveness using vertebrate distributions from leech iDNA, Nature Communications, doi: 10.1038/s41467-022-28778-8
Connor Johnson et al (2022), Highly unstable heterogeneous representations in VIP interneurons of the anterior cingulate cortex, Nature Psychiatry, doi: s41380-022-01485-y
Aobo Li et al (2022), KamNet: An Integrated Spatiotemporal Deep Neural Network for Rare Event Search
in KamLAND–Zen, arXiv: 2203.10870 [physics.ins-det]
Smarak Maity et al (2022), Mechanical Control of a Single Nuclear Spin, Physics Review X, doi: 10.1103/PhysRevX.12.011056
Donggi Paik et al (2022), Human gut bacteria produce ΤΗ17-modulating bile acid metabolites, Nature, doi: 10.1038/s41586-022-04480-z
Junwoo Park et al (2022), Controlled Hysteresis of Conductance in Molecular Tunneling Junctions, ACS Nano, doi: 10.1021/acsnano.1c10155
Jason W. Rocks and Pankaj Mehta (2022), Bias-variance decomposition of overparameterized regression with random linear features, arXiv: 2203.05443 [stat.ML]
Anup Pradhan Sakhya et al (2022), Observation of Fermi arcs and Weyl nodes in a non-centrosymmetric magnetic Weyl semimetal, arXiv: 2203.05440 [cond-mat.mes-hall]
Y. Wu, T. Wu, and S.-T. Yau (2022), Surface Eigenvalues with Lattice-Based Approximation, arXiv: 2203.03603 [math.NA]
Yu Xie et al (2022), Uncertainty-aware molecular dynamics from Bayesian active learning: Phase Transformations and Thermal Transport in SiC, arXiv: 2203.03824 [physics.comp-ph]
Do you have news about research using computing resources at the MGHPCC? If you have an interesting project that you want to tell people about or a paper you would like listed, contact hlh@nullmit.edu
