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Year: 2023

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Academic Activities

New Paper Published in Journal of Chemical Theory and Computation

August 30, 2023September 17, 2024 samtariyang

Listen to the podcast of this paper: Abstract: Molecular dynamics simulations of the tensile ultimate properties of polymer crystals require the use of empirical potentials

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Academic Activities

New Paper Published in Journal of Chemical Information and Modeling!

August 15, 2023September 17, 2024 samtariyang

Listen to the podcast of this paper: Machine learning-based predictive models allow rapid and reliable prediction of material properties and facilitate innovative materials design. Base

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Academic Activities

New Paper Published in Journal of Cheminformatics

July 28, 2023July 28, 2023 samtariyang

In this study, we developed a Python package, PyL3dMD, for calculating 3D descriptors from MD simulations. PyL3dMD is compatible with the popular simulation package LAMMPS

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Academic Activities News

New Paper in ACS Macro Letters

April 19, 2023April 19, 2023 samtariyang

A new paper titled “Methanol-Assisted ADMET Polymerization of Semiaromatic Amides” published on ACS Macro Letters. This is the 7th paper from my PhD, also the

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My Stories

My Green Card Application Approved

January 24, 2023January 26, 2023 samtariyang

I am so excited to receive this approval letter for my green card application today! I submitted my application in september in 2022 and got

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MXenes
Academic Activities Videos

New Paper Published in npj Materials Degradation

January 18, 2023January 26, 2023 samtariyang

Exciting news in the world of MXenes! Our team (Quanpeng Yang and Ashlie Martini (both Martini Research Group / University of California, Merced), Philipp Grützmacher (he-him) (Technische Universität Wien) and me (Technische Universität

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Recent Posts

  • New Paper Published in Nature Communication
  • A Machine Learning Force Field Method andMonte Carlo Simulations Framework forNanocubes with Arbitrary Sizes
  • Monte Carlo Simulation Framework with ParallelComputing for Nanocubes
  • Started a New Position at NC State
  • New Paper Published in Journal of Chemical Theory and Computation

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