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Content available in repository
Personal profile
Expertise related to UN Sustainable Development Goals
In 2015, UN member states agreed to 17 global Sustainable Development Goals (SDGs) to end poverty, protect the planet and ensure prosperity for all. This person’s work contributes towards the following SDG(s):
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SDG 7 Affordable and Clean Energy -
SDG 8 Decent Work and Economic Growth -
SDG 12 Responsible Consumption and Production
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Dive into the research topics where Shrinjay Sharma is active. These topic labels come from the works of this person. Together they form a unique fingerprint.
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Collaborations and top research areas from the last five years
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Research output
- 11 Article
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Predicting the Maximum Loading in Zeolites for Hydroisomerization Applications: A Machine Learning Approach
Johnsson, E., Sharma, S., Rao, A. G., Dubbeldam, D., Calero, S. & Vlugt, T. J. H. (Corresponding author), 10 Mar 2026, In: Journal of Physical Chemistry C. 130, 11, p. 4299-4314 16 p.Research output: Contribution to journal › Article › Academic › peer-review
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Implementation of energy and force grids in molecular simulations of porous materials
Ran, Y. A., Tapia, J., Sharma, S., Bai, P., Calero, S., Vlugt, T. J. H. & Dubbeldam, D. (Corresponding author), 2025, In: Molecular Physics. 123, 21-22, 14 p., e2542486.Research output: Contribution to journal › Article › Academic › peer-review
Open AccessFile10 Downloads (Pure) -
Machine Learning-Based Predictions of Henry Coefficients for Long-Chain Alkanes in One-Dimensional Zeolites: Application to Hydroisomerization
Sharma, S., Yang, P., Liu, Y., Rossi, K., Bai, P., Rigutto, M. S., Zuidema, E., Agarwal, U., Baur, R., Calero, S., Dubbeldam, D. & Vlugt, T. J. H. (Corresponding author), 9 Oct 2025, In: Journal of Physical Chemistry C. 129, 40, p. 18234-18249 16 p.Research output: Contribution to journal › Article › Academic › peer-review
Open AccessFile1 Link opens in a new tab Citation (Scopus)100 Downloads (Pure) -
Review of group contribution methods for prediction of thermodynamic properties of long-chain hydrocarbons
Li, Z., Constantinou, L., Baur, R., Dubbeldam, D., Calero, S., Sharma, S., Rigutto, M., Dey, P. & Vlugt, T. J. H. (Corresponding author), 7 Oct 2025, In: Molecular Physics. 123, 21-22, 20 p., e2563020.Research output: Contribution to journal › Article › Academic › peer-review
Open AccessFile2 Link opens in a new tab Citations (Scopus)9 Downloads (Pure) -
Second-order group contribution method for Tc, Pc, ω, ∆G0f , ∆H0f and liquid densities of linear and branched alkanes
Li, Z., Constantinou, L., Baur, R., Dubbeldam, D., Calero, S., Sharma, S., Rigutto, M., Dey, P. & Vlugt, T. J. H. (Corresponding author), 2025, In: Molecular Physics. 123, 21-22, 16 p., e2566763.Research output: Contribution to journal › Article › Academic › peer-review
Open AccessFile1 Link opens in a new tab Citation (Scopus)8 Downloads (Pure)
Datasets
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Sample simulation files underlying the publication: "Computing Entropy for Long-Chain Alkanes Using Linear Regression: Application to Hydroisomerization"
Sharma, S. (Creator), Baur, R. (Creator), Rigutto, M. S. (Creator), Zuidema, E. (Creator), Agarwal, U. (Creator), Calero, S. (Creator), Dubbeldam, D. (Creator) & Vlugt, T. (Creator), 4TU.Centre for Research Data, 20 Mar 2025
DOI: 10.4121/e855547e-384c-4802-9faa-00981a99419b.v1
Dataset
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Simulation input files and datasets for the article: "RUPTURA: Simulation Code for Breakthrough, Ideal Adsorption Solution Theory Computations, and Fitting of Isotherm Models".
Sharma, S. (Creator), Balestra, S. R. G. (Creator), Baur, R. (Creator), Agarwal, U. (Creator), Zuidema, E. (Creator), Rigutto, M. S. (Creator), Calero, S. (Creator), Vlugt, T. J. H. (Creator) & Dubbeldam, D. (Creator), 4TU.Centre for Research Data, 14 Apr 2023
DOI: 10.4121/4943dc0f-d908-4215-89ce-b9a6163930d2, https://data.4tu.nl/datasets/4943dc0f-d908-4215-89ce-b9a6163930d2 and one more link, https://data.4tu.nl/datasets/4943dc0f-d908-4215-89ce-b9a6163930d2/1 (show fewer)
Dataset
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Sample simulation input file and data sets for the article: "Modelling of adsorbate-size dependent explicit isotherms using a segregated approach to account for surface heterogeneities."
Sharma, S. (Creator), Rigutto, M. S. (Creator), Baur, R. (Creator), Agarwal, U. (Creator), Zuidema, E. (Creator), Balestra, S. R. G. (Creator), Calero, S. (Creator), Dubbeldam, D. (Creator) & Vlugt, T. J. H. (Creator), 4TU.Centre for Research Data, 14 Apr 2023
DOI: 10.4121/9f0aec2f-8905-42ae-945d-32fbf4262969, https://data.4tu.nl/datasets/9f0aec2f-8905-42ae-945d-32fbf4262969 and one more link, https://data.4tu.nl/datasets/9f0aec2f-8905-42ae-945d-32fbf4262969/1 (show fewer)
Dataset
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Supporting Information RASPA3: A Monte Carlo Code for Computing Adsorption and Diffusion in Nanoporous Materials and Thermodynamics Properties of Fluids
Ran, Y. A. (Creator), Sharma, S. (Creator), Balestra, S. R. G. (Creator), Li, Z. (Creator), Calero, S. (Creator), Vlugt, T. J. H. (Creator), Snurr, R. Q. (Creator) & Dubbeldam, D. (Creator), AIP Publishing, 16 Sept 2024
DOI: 10.60893/figshare.jcp.26896942.v1, https://aip.figshare.com/articles/dataset/Supporting_Information_RASPA3_A_Monte_Carlo_Code_for_Computing_Adsorption_and_Diffusion_in_Nanoporous_Materials_and_Thermodynamics_Properties_of_Fluids/26896942/1
Dataset
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Sample simulation files for "Machine Learning-Based Predictions of Henry Coefficients for Long-Chain Alkanes in One-Dimensional Zeolites: Application to Hydroisomerization"
Sharma, S. (Creator), Yang, P. (Creator), Liu, Y. (Creator), Rossi, K. (Creator), Bai, P. (Creator), Rigutto, M. S. (Creator), Zuidema, E. (Creator), Agarwal, U. (Creator), Baur, R. (Creator), Calero, S. (Creator), Dubbeldam, D. (Creator) & Vlugt, T. J. H. (Creator), 4TU.Centre for Research Data, 2 Oct 2025
DOI: 10.4121/7fdc96f0-69ff-4c1a-be2b-8aa6a0a812cb.v1
Dataset