PRADEEP KUMAR PAL

About

Computational Chemist with focus on QM, MD and ML applications to metal clusters, reaction mechanism studies of multi scale catalytic reactions. Current work focuses on air-water interface reactions in atmosphere contributing to PM 2.5 generation.

Employment

• Thammasat University Post doctoral fellow
  2026 - Present
• National Science and Technology Development Agency Co-Research Assistant
  2026 - 2026
• International Institute of Information Technology, Hyderabad PhD scholar
  2019 - 2025

Education

Education history is unavailable.

Projects & Funding

Projects & funding information is unavailable.

Publications (6)

• Efficient and enhanced sampling of drug‐like chemical space for virtual screening and molecular design using modern machine learning methods
  WIREs Computational Molecular Science 2023 DOI: 10.1002/wcms.1637
  +Save
• Carbodicarbenes and Striking Redox Transitions of their Conjugate Acids: Influence of NHC versus CAAC as Donor Substituents
  Chemistry – A European Journal 2023 DOI: 10.1002/chem.202202888
  +Save
• Tetra-Coordinated Boron-Functionalized Phenanthroimidazole-Based Zinc Salen as a Photocatalyst for the Cycloaddition of CO2 and Epoxides
  Inorganic Chemistry 2022 DOI: 10.1021/acs.inorgchem.2c02693
  +Save
• PLAS-5k: Dataset of Protein-Ligand Affinities from Molecular Dynamics for Machine Learning Applications
  Scientific Data 2022 DOI: 10.1038/s41597-022-01631-9
  +Save
• Synthesis of α‐Aryl Ketones by Harnessing the Non‐Innocence of Toluene and its Derivatives: Enhancing the Acidity of Methyl Arenes by a Brønsted Base and their Mechanistic Aspects
  Asian Journal of Organic Chemistry 2022 DOI: 10.1002/ajoc.202200372
  +Save
• Synthesis and reactivity of NHC-coordinated phosphinidene oxide
  Chemical Communications 2021 DOI: 10.1039/d1cc04421d
  +Save