Amar Deep Pathak

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Publications (9)

• Machine Learning for Sulfide Stress Cracking Prediction
  Advanced Theory and Simulations 2025 DOI: 10.1002/adts.202500194
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• Dynamic Metal–Support Interaction Dictates Cu Nanoparticle Sintering on Al2O3 Surfaces
  ACS Nano 2025 DOI: 10.1021/acsnano.5c04622
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• Insights into Coke Formation and Removal under Operating Conditions with a Quantum Nanoreactor Approach
  The Journal of Physical Chemistry Letters 2021 DOI: 10.1021/acs.jpclett.1c02892
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• Carbon Deposition and Permeation on Nickel Surfaces in Operando Conditions: A Theoretical Study
  The Journal of Physical Chemistry C 2021 DOI: 10.1021/acs.jpcc.0c11292
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• Investigations on 6FDA/BPDA-DAM polymer melt properties and CO2 adsorption using molecular dynamics simulations
  Journal of Membrane Science 2020 DOI: 10.1016/j.memsci.2020.118377
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• Theoretical Insights into the Structure and Activity of Cobalt Modulated by Surface and Subsurface Carbon in Operando Conditions
  The Journal of Physical Chemistry C 2020 DOI: 10.1021/acs.jpcc.0c04210
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• First-Principles Characterization and Experimental Validation of the Solid–Solid Interface in a Novel Organosulfur Cathode for the Li–S Battery
  ACS Applied Materials & Interfaces 2020 DOI: 10.1021/acsami.0c00376
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• Thermal Boundary Characteristics of Homo-/Heterogeneous Interfaces
  Nanomaterials 2019 DOI: 10.3390/nano9050663
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• First-Principles Study of Chemical Mixtures of CaCl2 and MgCl2 Hydrates for Optimized Seasonal Heat Storage
  The Journal of Physical Chemistry C 2017 DOI: 10.1021/acs.jpcc.7b05245
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