Dr. Supareak Praserthdam

ดร. ศุภฤกษ์ ประเสริฐธรรม

Research Profile



  • Ph.D. (Chemical Engineering), Texas A&M University, College Station, USA, 2018
  • B.Eng. (Chemical Engineering, 1st Class Honours), Chulalongkorn University, Bangkok, Thailand, 2014

Research Interest

Dr. Supareak’s works in the High-performance Computing Unit (CECC-HCU) focuses on the use of Density Functional Theory-based analysis, Microkinetic Modelling, Computational Fluid Dynamics (CFD), and Chemical Process Simulations for the screening of reactive and stable catalysts. We applied our own theory, “the ratings concept” for such a screening process, where the techniques can be applied to processes in chemical engineering involving reactors for the on-line optimization of the catalyst during operation. In addition, our team works hand in hand with the experimental team from the Center of Excellence on Catalysis and Catalytic Reaction Engineering (CECC), Department of Chemical Engineering, Chulalongkorn University to provide insight on what happened on the catalyst surface and propose the guideline towards the design of reactive and stable catalysts in a bottom-up fashion. Visit our group at



Computational Catalysis
Density Functional Theory
Machine Learning
Heterogeneous Catalysis

Selected Publications

A density functional theory study on how γ-Al2O3–Boehmite transformation affects carbon evolution during aqueous-phase reaction

T Saelee, P Apichoksiri, M Rittiruam, C Wangphon, P Khajondetchairit, …
Chemosphere, 139842

On the enhanced performance of Pt-based high-entropy alloys catalyst during water–gas shift reaction: A density functional theory study

T Saelee, S Boonchuay, A Sriwattana, M Rittiruam, P Khajondetchairit, …
Applied Surface Science 623, 157023

A DFT study on how vanadium affects hydrogen storage kinetics in magnesium nickel hydride

P Khajondetchairit, M Rittiruam, T Saelee, P Hirunsit, S Praserthdam, …
International Journal of Hydrogen Energy 48 (53), 20378-20387

On‐line Optimization of Integrated Carbon Capture and Conversion Process via the Ratings Concept: A Combined DFT and Microkinetic Modeling Approach

J Noppakhun, M Rittiruam, T Saelee, JS Shaikh, P Khajondetchairit, …
ChemCatChem 15 (10), e202201607

First‐Principles Density Functional Theory and Machine Learning Technique for the Prediction of Water Adsorption Site on PtPd‐Based High‐Entropy‐Alloy Catalysts

M Rittiruam, S Setasuban, J Noppakhun, T Saelee, A Ektarawong, …
Advanced Theory and Simulations 6 (4), 2200926