PD
Poulumi Dey
Delft University of Technology
Research areas: Materials Science · Materials Chemistry · Hydrogen Storage and Materials · Machine Learning in Materials Science · Microstructure and Mechanical Properties of Steels
0000-0003-4679-1752
Employment
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Delft University of Technology Associate professor
Education
Education history is unavailable.
Projects & Funding
Projects & funding information is unavailable.
Publications (61)
- Molecular insights into levofloxacin aggregation in surfactant bilayers using molecular dynamics simulations Save
- Benchmarking chemically scalable machine-learning interatomic potentials for large-scale simulations of multicomponent alloys Save
- Fe-TiC-H machine learning interatomic potential for predicting hydrogen segregation and diffusion in TiC/Fe Save
- From O adsorption to Fe oxide growth: Benchmarking reactive force fields and universal machine learning interatomic potentials against DFT for BCC Fe surface oxidation Save
- Molecular Simulation of Hydrogen Systems: From Properties and Methods to Applications and Future Directions Save
- Boosting photocatalytic hydrogen evolution via intrinsic electric fields in 2D Janus AlXY2 (X = Ga, In; Y = S, Se, Te) monolayers Save
- From Grotthuss Transfer to Conductivity: Machine Learning Molecular Dynamics of Aqueous KOH Save
- Densities, Viscosities, and Self-Diffusion Coefficients of Aqueous Mixtures of NaBH4, NaB(OH)4, and NaOH Using the BH4– Delft Force Field (DFF/BH4–) Save
- Decoding the hidden dynamics of super-Arrhenius hydrogen diffusion in multi-principal element alloys via machine learning Save
- Size-dependent strength superiority in multi-principal element alloys versus constituent metals: Insights from machine-learning atomistic simulations Save
- 2D Carbon Phosphide for Trapping Sulfur in Rechargeable Li–S Batteries: Structure Design and Interfacial Chemistry Save
- Standard deviation in maximum restoring force controls the intrinsic strength of face-centered cubic multi-principal element alloys Save
- Computational Exploration of Adsorption-Based Hydrogen Storage in Mg-Alkoxide Functionalized Covalent-Organic Frameworks (COFs): Force-Field and Machine Learning Models Save
- Effect of dissolved KOH and NaCl on the solubility of water in hydrogen: A Monte Carlo simulation study Save
- Ciprofloxacin and Azithromycin Antibiotics Interactions with Bilayer Ionic Surfactants: A Molecular Dynamics Study Save
- Artificial intelligence combined with high-throughput calculations to improve the corrosion resistance of AlMgZn alloy Save
- Harnessing intrinsic electric fields in 2D Janus MoOX (X=S, Se, and Te) monolayers for enhanced photocatalytic hydrogen evolution Save
- Accurate Free Energies of Aqueous Electrolyte Solutions from Molecular Simulations with Non-polarizable Force Fields Save
- 2D Ge2Se2P4 Monolayer: A Versatile Photocatalyst for Sustainable Water Splitting Save
- Effectiveness of inhibitors to prevent asphaltene aggregation: Insights from atomistic and molecular simulations Save