Advanced Theory and Simulations

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Top Publications

• Ultra‐Wideband, Polarization‐Independent, Wide‐Angle Multilayer Swastika‐Shaped Metamaterial Solar Energy Absorber with Absorption Prediction using Machine Learning

  Unknown

  (2022)
  116 Citations

• Gold Nanorod Assisted Enhanced Plasmonic Detection Scheme of COVID-19 SARS-CoV-2 Spike Protein

  Chandreyee Manas Das;Chandreyee Manas Das;Yan Guo;Guang Yang;Lixing Kang;Lixing Kang

  (2020)
  67 Citations

• Predicting Thermal Properties of Crystals Using Machine Learning

  Sherif Abdulkader Tawfik;Olexandr Isayev;Michelle J. S. Spencer;David A. Winkler

  (2020)
  52 Citations

• Investigation of Defects in Cs₂SnI₆‐Based Double Perovskite Solar Cells Via SCAPS‐1D

  (2022)
  44 Citations

• Accuracy and Precision of Alchemical Relative Free Energy Predictions with and without Replica-Exchange.

  Shunzhou Wan;Gary Tresadern;Laura Pérez‐Benito;Herman van Vlijmen

  (2020)
  42 Citations

• Optimization of Metamaterial‐Based Solar Energy Absorber for Enhancing Solar Thermal Energy Conversion Using Artificial Intelligence

  (2022)
  41 Citations

• Molecular Dynamics Simulations of Molten Magnesium Chloride Using Machine-Learning-Based Deep Potential

  Wenshuo Liang;Guimin Lu;Jianguo Yu

  (2020)
  35 Citations

• Polaron in TiO2 from First‐Principles: A Review

  (2021)
  32 Citations

• Reliability Analysis Based on Mixture of Lindley Distributions with Artificial Neural Network

  (2022)
  31 Citations

• Circularly Polarized Spin‐Selectivity Absorbing Coding Phase Gradient Metasurface for RCS Reduction

  (2020)
  29 Citations