| Dr | Yueshan | Jiang | School of Materials Science and Engineering | China | Materials Science | Computational Materials Science | Best Researcher Award | |
| Dr | Ernest | Agwamba | Covenant University Ota Ogun State Nigeria. | Nigeria | Chemistry | Computational material science | Best Researcher Award | |
| Mr | DEEPAK RANJAN | SAHOO | INDIAN INSTITUTE OF TECHNOLOGY MADRAS CHENNAI iNDIA | India | Materials Science | Computational Material Modelling | Best Researcher Award | |
| Dr | Anup Singh | Negi | Graphic Era Hill University | India | Mathematics | Computational Fluid Dynamics (Nanofluid) | Best Researcher Award | View Profile |
| Assist. Prof. Dr | Kousalya | Mahalingam | SRM Institute of Science and Technology | India | Mathematics | Computational Fluid Dynamics | Best Researcher Award | View Profile |
| Dr | Chen | Chen | Schlumberger | United States | Engineering | Computational Engineering in Numerical Methods | Best Researcher Award | |
| Dr | Jinhong | Wang | Northwestern Polytechnical University | China | Engineering | Computational Electromagnetics | Best Researcher Award | View Profile |
| Mr | Md. Mehedi | Hasan | City University | Bangladesh | Materials Science | Computational Condensed Matter | Excellence in Research | |
| Dr | Ashish | Shelke | CSIR-NATIONAL AEROSPACE LABORATORIES, INDIA | India | Engineering | Computational Combustion and Fire Dynamics | Young Scientist Award | |
| Dr | ELANGOVAN | | Department of Chemistry, St Berchmans College (Autonomous), Mahatma Gandhi University, Changanassery, Kerala, 686101, India | India | Chemistry | Computational Chemistry, Synthetic Organic Chemistry | Young Scientist Award | |
| Mr | Sajid | Hasan | Ulsan National Institute of Science and Technology | South Korea | Chemistry | Computational Chemistry (Organic Synthesis) | Best Researcher Award | |
| Dr | Juan Ceferino | Garro Martinez | Universidad Nacional de San Luis | Argentina | Chemistry | Computational Chemistry | Best Researcher Award | |
| Dr | Hassan | Hashemzadeh | birjand university of medical sciences | Iran | Chemistry | Computational Chemistry | Best Researcher Award | |
| Dr | Jin-Cheng | Liu | Nankai University | China | Chemistry | Computational Chemistry | Best Researcher Award | |
| Assoc Prof Dr | Mahmoud | Ibrahim | Minia University | Egypt | Chemistry | Computational Chemistry | Best Researcher Award | |
| Assoc. Prof. Dr | YUSUF | SERT | Yozgat Bozok University | Turkey | Chemistry | Computational Chemistry | Best Researcher Award | |
| Dr | 树睿 | 闫 | Tsinghua University | China | Engineering | computational building design, sustainable urban and building design | Best Researcher Award | |
| Dr | Pradeep | Pant | University of Duisburg Essen | Germany | Chemistry | Computational biophysics | Best Researcher Award | |
| Ms | Anubha | Dey | University of Hyderabad | India | Other | Computational Biology/Bioinformatics | Best Researcher Award | View Profile |
| Ms. | Divya | Sharma | Vellore Institute of Technology | India | Pharmacology, Toxicology and Pharmaceutical Science | Computational Biology, Drug discovery | Research Excellence Award | View Profile |