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5 results in Authors: Ahmad Sheikh

Theoretical and Computational Chemistry

A Data-Driven and Topological Mapping Approach for the A Priori Prediction of Stable Molecular Crystalline Hydrates

Richard Hong, Alessandra Mattei, Ahmad Sheikh, Mark Tuckerman

Version 1 posted 19 April 2022

221

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Theoretical and Computational Chemistry

Efficient crystal structure prediction for structurally related molecules with accurate and transferable tailor-made force fields

Alessandra Mattei, Richard S. Hong, Hanno Dietrich, Dzmitry Firaha, Julian Helfferich, Yifei Michelle Liu, Kiran Sasikumar, Nathan S. Abraham, Rajni Miglani Bhardwaj, Marcus A. Neumann, Ahmad Y. Sheikh

Version 1 posted 23 May 2022

302

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Materials Science

Superior Cyclic Stability and Capacitive Performance of Cation and Water Molecules Pre-intercalated δ-MnO2/h-WO3 Nanostructure as Supercapacitor Electrode

Md Shafayatul Islam, Sheikh Manjura Hoque, Mizanur Rahaman, Muhammad Rakibul Islam, Ahmad Irfan, Ahmed Sharif

Version 1 posted 07 December 2023

96

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Theoretical and Computational Chemistry

Assessing the accuracy and efficiency of free energy differences obtained from reweighted flow-based probabilistic generative models

Edgar Olehnovics, Yifei Michelle Liu, Nada Mehio, Ahmad Y Sheikh, Michael Shirts, Matteo Salvalaglio

Version 3 posted 25 June 2024

452

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Theoretical and Computational Chemistry

Accurate Lattice Free Energies of Packing Polymorphs from Probabilistic Generative Models

Edgar Olehnovics, Yifei Michelle Liu, Nada Mehio, Ahmad Sheikh, Michael Shirts, Matteo Salvalaglio

Version 1 posted 23 October 2024

158

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