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Beilstein Journal of Organic Chemistry|July 7, 2018
Are dispersion corrections accurate outside equilibrium? A case study on benzeneTim Gould, Erin R Johnson, Sherif Abdulkader TawfikJournal of Chemical Information and Modeling|June 26, 2026
LLM-Assembled Multiscale Cascades for High-Throughput Screening: The Case of Thermoelectric MaterialsSherif Abdulkader TawfikJournal of Chemical Information and Modeling|June 4, 2025
Computational Material Science Has a Data ProblemSherif Abdulkader TawfikChemical Science|May 14, 2025
The hole mass in Car-Parrinello molecular dynamics: insights into the dynamics of excitationSherif Abdulkader Tawfik, Tiffany R WalshJournal of Cheminformatics|November 9, 2022
Naturally-meaningful and efficient descriptors: machine learning of material properties based on robust one-shot ab initio descriptorsSherif Abdulkader Tawfik, Salvy P RussoPhysical Chemistry Chemical Physics : PCCP|June 16, 2026
Magnetic fields from microscopic sources: a new quantum-based discrete interaction approachSherif Abdulkader Tawfik, Salvy P RussoThe Journal of Physical Chemistry. A|February 13, 2025
Predicting the Electron Density of Charged Systems Using Machine LearningSherif Abdulkader Tawfik, Sunil Gupta, Svetha VenkateshACS Applied Materials & Interfaces|December 6, 2022
Blocking Directional Lithium Diffusion in Solid-State Electrolytes at the Interface: First-Principles Insights into the Impact of the Space Charge LayerGarima Dobhal, Tiffany R Walsh, Sherif Abdulkader TawfikPhysical Chemistry Chemical Physics : PCCP|September 12, 2018
Superconductivity in intercalated buckled two-dimensional materials: KGeSherif Abdulkader Tawfik, Catherine Stampfl, Michael J FordPageof 24