Arup Mahata is a computational materials chemist, based in the Department of Chemistry, IIT Hyderabad. He was born in the village Rowtara (Raipur), located at the southern part of Bankura district of West Bengal, and finished his school education at Garh Raipur High School. Then, he obtained his Bachelor’s and Master’s degrees from Vivekananda Mahavidyalaya (University of Burdwan) and NIT Durgapur, respectively. After that, Arup finished his PhD at IIT Indore under the supervision of Prof. Biswarup Pathak. During his PhD, he worked on energy conversion and storage applications using computational modelling. Then he moved to Italy for his post-doctoral study at Istituto Italiano di Tecnologia and CNR-SCITEC Perugia with Prof. Filippo De Angelis. During his post-doctoral phase, he worked on one of the most promising semiconductor materials (halide perovskites) of present times for optoelectronics applications. Along with pure computational works, he is actively engaged in collaborating with experimentalists. He has published more than 60 papers, which include various high-impact journals like Energy & Environmental Science, Nature Communications, Journal of American Chemical Society (JACS), ACS Energy Letters, Advanced Energy Materials, Materials Today, Chemistry of Materials, Journal of Materials Chemistry A among others. He has more than 2500 (google scholar citation, h-index: 30, i10-index: 51) citations.