August Publications

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Photoswitchable molecules? Oscillations in cosmic microwave background? Mechanical metamaterials?  Counterfactual mediation analysis? This month’s selection of publications featuring research using the MGHPCC.

Simon Axelrod, Eugene Shakhnovich, and Rafael Gómez-Bombarelli (2021), Excited state, non-adiabatic dynamics of large photoswitchable molecules using a chemically transferable machine learning potential, arXiv: 2108.04879 [physics.chem-ph]

BICEP/Keck Collaboration (2021), BICEP / Keck XIV: Improved constraints on axion-like polarization oscillations in the cosmic microwave background, arXiv:2108.03316 [astro-ph.CO]

Bodhi Biswas, Syun’ichi Shiraiwa, Seung-Gyou Baek, Paul Bonoli, Abhay Ram, and Anne White (2021), A hybrid full-wave Markov chain approach to calculating radio-frequency wave scattering from Scrape-off Layer filaments, arXiv:2108.07077 [physics.plasm-ph]

Matteo Braglia, Xingang Chen, and Dhiraj Kumar Hazra (2021), Primordial Standard Clock Models and CMB Residual Anomalies, arXiv: 2108.10110 [astro-ph.CO]

Mengxi Chen, Asanka Weerasinghe, Andre R. Muniz, Ashwin Ramasubramaniam, and Dimitrios Maroudas (2021), Molecular-Dynamics Simulations on Nanoindentation of Graphene-Diamond Composite Superstructures in Interlayer-Bonded Twisted Bilayer Graphene: Implications for Mechanical Metamaterials, Applied Nano Materials, doi: 10.1021/acsanm.1c02236

Xi Chen, Hao Tang, Yichao Wang, and Xin Li (2021), Balancing orbital effects and on-site Coulomb repulsion through Na modulations in NaxVO2, Physical Review Materials, doi: 10.1103/PhysRevMaterials.5.084402

Nathan T. Howard et al (2021), The role of ion and electron-scale turbulence in setting heat and particle transport in the DIII-D ITER Baseline Scenario, Nuclear Fusion, doi: 10.1088/1741-4326/ac1bc2

Theodore Huang, Matthew Ploenzke, Danielle Braun (2021), SNIP: An Adaptation of Sorted Neighborhood Methods for Deduplicating Pedigree Data, arXiv:2108.08773 [stat.AP]

Cheng-Wei Ju et al (2021), Stacked Ensemble Machine Learning for Range-Separation Parameters, ChemRxiv. Cambridge: Cambridge Open Engage

Li J, Stein R, Adrion D, Lopez S. (2021), Machine-learning photodynamics simulations uncover the role of substituent effects on the photochemical formation of cubanes, ChemRxiv. Cambridge: Cambridge Open Engage

David M. Long, Philip J. D. Crowley, and Anushya Chandran (2021), Many-Body Localization with Quasiperiodic Driving, arXiv: 2108.04834 [cond-mat.dis-nn]

Song Luo, Tongkun Wang, Jason Gulbinski, Long Qi, Geoffrey A. Tompsett, Michael T. Timko, Scott M. Auerbach, and Wei Fan (2021), Identifying Order and Disorder in Double Four-Membered Rings via Raman Spectroscopy during Crystallization of LTA Zeolite, Chemistry of Materials, doi: 10.1021/acs.chemmater.1c01420

Fatemah Mukadum et al (2021), Efficient discovery of visible light-activated azoarene photoswitches with long half-lives using active search, Theoretical and Computational Chemistry, doi: 10.33774/chemrxiv-2021-w32rs

Jack G. Nedell et al (2021), Deep learning of deformation-dependent conductance in thin films: nanobubbles in graphene, arXiv: 2108.01057 [cond-mat.mes-hall]

Seyed Ardalan Nejat et al (2021), Topology optimization of lightweight periodic lattices under stiffness and stability constraints, International Journal of Mechanical Sciences, doi: 10.1016/j.ijmecsci.2021.106727

F. Sciortino et al (2021), Experimental Inference of Neutral and Impurity Transport in Alcator C-Mod Using High-Resolution X-Ray and Ultra-Violet Spectra, arXiv: 21.07.1371 [physics.plasm-ph]

Victor V. Volkov, Hendrik Heinz and Carole C. Perry (2021), Anchoring of a hydrophobic heptapeptide (AFILPTG) on silica facilitates peptide unfolding at the abiotic–biotic interface, Physical Chemistry Chemical Physics, doi: 10.1039/d1cp02072b

Isabelle R. Weir, Jennifer R. Rider, Ludovic Trinquart (2021), Counterfactual mediation analysis in the multistate model framework for surrogate and clinical time-to-event outcomes in randomized controlled trials, Pharmaceutical Statistics, doi: 10.1002/pst.2159

Kunyan Zhang et al (2021), Spectroscopic Signatures of Interlayer Coupling in Janus MoSSe/MoS2 Heterostructures, arXiv: 2108.10995

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@mit.edu

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