Molecular Systems Design and Engineering

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Top Publications

• Modeling of stimuli-responsive nanoreactors: rational rate control towards the design of colloidal enzymes

  Matej Kanduč;Won Kyu Kim;Rafael Roa;Joachim Dzubiella;Joachim Dzubiella

  (2020)
  50 Citations

• Process-level modelling and optimization to evaluate metal–organic frameworks for post-combustion capture of CO2

  Daison Yancy-Caballero;Karson T. Leperi;Benjamin J. Bucior;Rachelle K. Richardson

  (2020)
  49 Citations

• Mining structure–property relationships in polymer nanocomposites using data driven finite element analysis and multi-task convolutional neural networks

  Yixing Wang;Min Zhang;Anqi Lin;Akshay Iyer

  (2020)
  47 Citations

• Effect of substituents in sulfoxides on the enhancement of thermoelectric properties of PEDOT:PSS: experimental and modelling evidence

  Qiang Zhu;Erol Yildirim;Erol Yildirim;Xizu Wang;Aung Ko Ko Kyaw

  (2020)
  42 Citations

• Luminescent MOF crystals embedded in PMMA/PDMS transparent films as effective NO2 gas sensors

  Francisco G. Moscoso;José Almeida;Ahmad Sousaraei;Tânia Lopes-Costa

  (2020)
  40 Citations

• Organic Molecular and Polymeric Electrets Toward Soft Electronics

  (2022)
  37 Citations

• Supra-molecular agents running tasks intelligently (SMARTI): recent developments in molecular logic-based computation

  Chao-Yi Yao;Hong-Yu Lin;Hannah S. N. Crory;A. Prasanna de Silva

  (2020)
  37 Citations

• Enumeration of de novo inorganic complexes for chemical discovery and machine learning

  Stefan Gugler;Jon Paul Janet;Heather J. Kulik

  (2020)
  36 Citations

• Molecular engineering of complexation between RNA and biodegradable cationic gemini surfactants: role of the hydrophobic chain length

  (2022)
  31 Citations