| RUPTURA: simulation code for breakthrough, ideal adsorption solution theory computations, and fitting of isotherm models S Sharma, SRG Balestra, R Baur, U Agarwal, E Zuidema, MS Rigutto, ... Molecular Simulation 49 (9), 893-953, 2023 | 23 | 2023 |
| Kinetics of zeolite-catalyzed heptane hydroisomerization and hydrocracking with CBMC-modeled adsorption terms: Zeolite Beta as a large pore base case U Agarwal, MS Rigutto, E Zuidema, APJ Jansen, A Poursaeidesfahani, ... Journal of Catalysis 415, 37-50, 2022 | 12 | 2022 |
| Understanding shape selectivity effects of hydroisomerization using a reaction equilibrium model S Sharma, MS Rigutto, E Zuidema, U Agarwal, R Baur, D Dubbeldam, ... The Journal of Chemical Physics 160 (21), 2024 | 3 | 2024 |
| Modelling of adsorbate-size dependent explicit isotherms using a segregated approach to account for surface heterogeneities S Sharma, MS Rigutto, R Baur, U Agarwal, E Zuidema, SRG Balestra, ... Molecular Physics 121 (19-20), e2183721, 2023 | 3 | 2023 |
| RASPA3: A Monte Carlo code for computing adsorption and diffusion in nanoporous materials and thermodynamics properties of fluids YA Ran, S Sharma, SRG Balestra, Z Li, S Calero, TJH Vlugt, RQ Snurr, ... The Journal of Chemical Physics 161 (11), 2024 | 2 | 2024 |
| Prediction of Thermochemical Properties of Long-Chain Alkanes Using Linear Regression: Application to Hydroisomerization S Sharma, JJ Sleijfer, J Op de Beek, S van der Zeeuw, D Zorzos, S Lasala, ... The Journal of Physical Chemistry B 128 (39), 9619-9629, 2024 | | 2024 |
| Computing Entropy for Long-Chain Alkanes Using Linear Regression: Application to Hydroisomerization S Sharma, R Baur, M Rigutto, E Zuidema, U Agarwal, S Calero, ... | | 2024 |
| Ruptura: An Open Source Code for the Simulations of Breakthrough Curves, Mixture Adsorption Isotherms and Fitting of Pure Component Adsorption Isotherms. S Sharma, SRG Balestra, R Baur, U Agarwal, E Zuidema, MS Rigutto, ... 2023 AIChE Annual Meeting, 2023 | | 2023 |
| Dynamic Electrochemical Promotion of Catalysis S Sharma | | 2020 |
