Sohrab Rohani, Western University

Research

Molecular dynamic simulation Cocrystals prediction and validation Control of batch and continuous crystallizers Crystallization Crystal morphology prediction and validation In-situ crystal size and shape characterization Nucleation Polymorph screening

Latest papers

A Multimodal Semi-Supervised Learning Framework for Pharmaceutical Cocrystals Prediction.
Journal of chemical information and modeling · 2026 · senior author
Triazole-Based Metal-Organic Frameworks for CO2 Capture.
Nanomaterials (Basel, Switzerland) · 2026 · senior author
Covalent Organic Frameworks for CO2 Capture: From Design to Application.
Nanomaterials (Basel, Switzerland) · 2026 · senior author

All 65 publications

Latest funding

Urgent Replacement of Sputtering Thin Film Deposition Instrumentation in Open User Facility
NSERC · 2025 · Co-investigator
$150,000
Development of a user-friendly software to predict the formation of pharmaceutical cocrystals
NSERC · 2023 · Principal investigator
$60,000
Experimental and computational studies of pharmaceuticals crystallization
NSERC · 2021 · Principal investigator
$184,000

All 25 grants and awards

65 publications.

01

A Multimodal Semi-Supervised Learning Framework for Pharmaceutical Cocrystals Prediction.

Ghanavati MA, Moosavi SM, Rohani S

Journal of chemical information and modeling2026Senior author

DOI: 10.1021/acs.jcim.6c01386 PMID: 42503654

02

Triazole-Based Metal-Organic Frameworks for CO2 Capture.

Nabipour H, Rohani S

Nanomaterials (Basel, Switzerland)2026Senior author

DOI: 10.3390/nano16150949 PMID: 42584342

03

Covalent Organic Frameworks for CO2 Capture: From Design to Application.

Nabipour H, Rohani S

Nanomaterials (Basel, Switzerland)2026Senior author

DOI: 10.3390/nano16120777 PMID: 42347341

04

Development of a fully bio-based pH-responsive nanocomposite for targeted 5-fluorouracil delivery: synthesis, characterization, and cytotoxicity study.

Nabipour H, Rohani S, Volkening K, Strong MJ

International journal of pharmaceutics2026

DOI: 10.1016/j.ijpharm.2025.126341 PMID: 41183691

05

Curcumin-Loaded Nanoscale Metal-Organic Frameworks for Therapeutic Applications in Cancer.

Tutunchi H, Nabipour H, Rohani S

Nanomaterials (Basel, Switzerland)2025Senior author

DOI: 10.3390/nano15241869 PMID: 41441480

06

Therapeutic Potential of Nanoscale Metal-Organic Frameworks in Hepatocellular Carcinoma.

Tutunchi H, Nabipour H, Rohani S

Nanomaterials (Basel, Switzerland)2025Senior author

DOI: 10.3390/nano15231771 PMID: 41369447

07

Machine learning-driven discovery of multicomponent pharmaceutical solid forms via DualNet: confidence-aware prediction and ranking of salts and cocrystals.

Ghanavati MA, Khalili B, Alberico D, Rohani S

International journal of pharmaceutics2025Senior author

DOI: 10.1016/j.ijpharm.2025.126117 PMID: 40907810

08

Porosity Modification in MOF Nanocarriers for pH-Responsive Drug Delivery in Cancer Therapy.

Kazemi A, Aghamirza Moghim Aliabadi H, Afshari MH, Tamtaji M, Baesmat H, Keshavarz S, Zeinali F, Torabi E, Ferdowsi GS, Manteghi F, Rohani S, Goddard WA

ACS applied bio materials2025

DOI: 10.1021/acsabm.5c00838 PMID: 40830077

09

Novel metal-organic framework coated with chitosan-κ-carrageenan as a platform for curcumin delivery to cancer cells.

Nabipour H, Aliakbari F, Volkening K, Strong MJ, Rohani S

International journal of biological macromolecules2025Senior author

DOI: 10.1016/j.ijbiomac.2025.140027 PMID: 39842581

10

Development of metal-organic framework biocomposites from chitosan as drug delivery vehicles: In vitro evaluation on HeLa and SH-SY5Y cell lines.

Nabipour H, Aliakbari F, Volkening K, Strong MJ, Rohani S

International journal of biological macromolecules2025Senior author

DOI: 10.1016/j.ijbiomac.2024.138878 PMID: 39701252

Urgent Replacement of Sputtering Thin Film Deposition Instrumentation in Open User Facility

Co-investigatorNSERC2025Research Tools and Instruments

Principal investigators: Lagugné-Labarthet, François

Keywords: thin film deposition; semiconducting materials; optoelectronic devices; biosensing; nanofabrication processes

$150,000

Development of a user-friendly software to predict the formation of pharmaceutical cocrystals

Principal investigatorNSERC2023Alliance Grants

Principal investigators: Rohani, Sohrab S

Keywords: active pharmaceutical ingredients; artificial neural networks; a user-friendly software; deep learning; electronic surface potential map; experimental validation; molecular dynamic simulation; pharmaceutical cocrystals; pointnet; prediction

$60,000