Renewable Energy and Chemicals (REC) Research Group

Design of nanoscale materials with superior catalytic or electrocatalytic properties, essentially holds the key to success for developing renewable energy and chemicals. In our efforts, a bottom-up approach is applied, wherein quantum mechanical ab initio density functional theory (DFT) simulations of reactions occurring on the material surface are guiding the rational design of heterogeneous catalysts. The inherent design ideas vary and depend on the problem at hand. Overall, the ab initio level theoretical simulations provide us a mechanistic insight into the reaction, which in-turn offers us an opportunity to engineer the material itself. This is often implemented in experiments by changing the material surface, morphology and the characteristic length scales.  

Read more at Reaction Chemistry & Engineering Blog

M. Ali Haider

Associate Dean Research and External Engagement

Indian Institute of Technology (IIT) Delhi - Abu Dhabi

Professor, Department of Chemical Engineering, IIT Delhi

Associate Faculty, Yardi School of Artificial Intelligence (ScAI), IIT Delhi

Member, Editorial Advisory Board, ACS Sustainable Chemistry & Engineering


Alexander von Humboldt Fellow, CRC, Technical University Munich, 2023-24

Visiting Scholar, CCEI, University of Delaware, 2016-17

Postdoctoral Research Associate, NSF-CBiRC, University of Virginia, 2011-2013

M. S. & Ph.D University of Virginia (UVA), 2006-2011

B. Tech. IIT Guwahati, 2006

CO2 Reduction

catalyst discovery


Platform Chemicals


Natural Gas to Aromatics

methane Activation

Water Purification

NOx Adsorbers

Single Atom Alloys