Arunmozhi Bharathi Achudhan | Computational Chemistry | Best Scholar Award

Mr. Arunmozhi Bharathi Achudhan | Computational Chemistry |  Best Scholar Award

SRM Institute of Science and Technology, India

👨‍🎓Profiles

🧬 Academic and Research Background

Mr. Arunmozhi Bharathi Achudhan is a dynamic early-career researcher specializing in environmental genomics and microbiome analysis, currently pursuing his Ph.D. at SRM Institute of Science and Technology, Chennai, with his thesis submitted for review. His doctoral research, titled “Structural and Functional Genomic Analysis of Coal Microbiome and Machine Learning-Based Recovery of Novel Metagenome-Assembled Genomes (MAGs),” integrates next-generation sequencing (NGS) data analysis with computational biology and machine learning. Originally trained in microbiology, he has independently mastered advanced genomics techniques and computational pipelines, using over 150 workflows to deeply explore microbial communities in extreme environments.

🧪 Research Focus and Innovations

His research focuses on unculturable microbial genomes, recovering novel MAGs from coal microbiomes and evaluating their ecological and industrial significance. By analyzing structural diversity and mining functional genes, he has identified and validated novel enzymes like amidase and nitrilase through comparative structure analysis with protein crystal structures available in the Protein Data Bank. These findings carry high biotechnological potential for industrial applications. He has also developed a read-specific binning strategy for improved MAG reconstruction, now filed as a patent, which addresses limitations in existing metagenomics workflows.

💻 Technical and Computational Skills

Mr. Arunmozhi is adept at working in Linux environments and cloud platforms like AWS. He is highly skilled in coding with Python, R, and Perl, and proficient in setting up automated workflows using Snakemake and Conda. His experience includes using powerful metagenomic and proteomic analysis pipelines such as metaWRAP, MuDoGer, SqueezeMeta, Traitar, GTDB-tk, Prokka, Prodigal, AlphaFold, and Gromacs. He also utilizes AutoDockVina, PyMOL, and Schrödinger Suite for molecular docking and structure analysis. His strong command over bioinformatics tools bridges the gap between raw sequencing data and functional biological insights.

🧫 Laboratory Training and Teaching

In addition to his computational expertise, he has received formal training in Microbiology and Molecular Biology techniques, including GLP, and has instructed undergraduate laboratory courses in these areas. He also taught Computational Biology and delivered academic training in research methods, APA formatting, SPSS, and Sigma Plot, equipping students with both theoretical knowledge and practical scientific skills.

🎓 Education and Early Scientific Engagement

Mr. Arunmozhi holds a Master’s degree in Applied Microbiology and a Bachelor’s degree in Microbiology from Madras Christian College, where he also completed a Postgraduate Diploma in Medical Laboratory Technology. His postgraduate research included the molecular characterization of β-agarase from Sphingomonas paucimobilis, and he actively participated in international and national conferences, presenting research on larvicidal activity, microbial virulence, and antimicrobial agents.

🌍 Broader Contributions to Microbiome Science

His independent project on the Indian healthy human gut microbiome involved shotgun metagenomic analysis of 110 samples, where he employed language-based machine learning to identify hidden probiotic genomes. This study provided new insights into unculturable probiotic microbes and showcased how integrating metagenomics with machine learning can revolutionize microbiome research and gut health diagnostics.

🏅 Awards and Recognition

His academic contributions have been recognized through multiple oral presentation awards, including the Best Oral Presentation at the International Conference on Advances and Applications of Biotechnology (2024), and the Young Scientist Award at the International Conference on Innovation in Science and Technology for Sustainable Development (2023). He has also presented his work at several national and international platforms, including the National Conference on Structural Biology and Drug Discovery, and New Horizons in Bioengineering, among others.

🧠 Innovation and Intellectual Property

Mr. Arunmozhi is an innovator in the domain of metagenomic genome reconstruction. His patented approach, A Read-Specific Binning Strategy for the Recovery of Unculturable MAGs, improves the reliability and efficiency of genome assembly from complex microbial communities. This contribution represents a significant advancement in bioinformatics methodology, with applications across environmental microbiology, health, and industrial biotechnology.

🔮 Future Contributions and Vision

With a multidisciplinary skill set spanning microbiology, computational genomics, structural biology, and AI-driven analysis, Mr. Arunmozhi Bharathi Achudhan is poised to make impactful contributions to sustainable biotechnology, precision microbiome therapeutics, and enzyme discovery. He envisions continuing his journey in postdoctoral research, focused on unraveling complex microbial systems and translating genomic discoveries into real-world applications that benefit health and the environment.

📖Notable Publications

  1. A review on applications of β-glucosidase in food, brewery, pharmaceutical and cosmetic industries
    Contributors: P. Kannan, A.B. Achudhan, A. Gupta, L.M. Saleena
    Journal: Carbohydrate Research, 530, 108855
    Year: 2023

  2. Functional metagenomics uncovers nitrile-hydrolysing enzymes in a coal metagenome
    Contributors: A.B. Achudhan, P. Kannan, L.M. Saleena
    Journal: Frontiers in Molecular Biosciences, 10, 1123902
    Year: 2023

  3. A Review of web-based metagenomics platforms for analysing next-generation sequence data
    Contributors: A.B. Achudhan, P. Kannan, A. Gupta, L.M. Saleena
    Journal: Biochemical Genetics, 62(2), 621–632
    Year: 2024

  4. CRISPR detection in metagenome-assembled genomes (MAGs) of coal mine
    Contributors: A.B. Achudhan, P. Kannan, L.M. Saleena
    Journal: Functional & Integrative Genomics, 23(2), 122
    Year: 2023

Celso Rêgo | Digital Chemistry | Best Researcher Award

Dr. Celso Rêgo | Digital Chemistry | Best Researcher Award 

Karlsruher Institut für Technologie ,China 

Profile

🎓 Early Academic Pursuits

Celso Rêgo, a Brazilian physicist Dr. Celso Rêgo in 1981 in Santarém, Pará, began his academic journey with a strong focus on the physical sciences. He obtained his B.Sc. in Physics in 2010 and M.Sc. in 2012, both from UFAM (Universidade Federal do Amazonas), in Manaus, Brazil. His academic pursuits culminated in a Ph.D. in Theoretical Physics from the Institute of Physics of São Carlos (IFSC), completed in 2017. During this period, Celso developed a deep foundation in computational chemistry and physics, specifically exploring molecular interactions on surfaces.

💼 Professional Endeavors

After completing his Ph.D., Celso transitioned into postdoctoral research at the Max-Planck Institute for Microstructure Physics in Halle, Germany, where he specialized in method development for studying atomic scattering on metallic surfaces (2017–2019). Since January 2020, he has served as a Senior Scientist at the Karlsruhe Institute of Technology (KIT), where he leads groundbreaking projects in multiscale modeling, predictive AI, and digital materials science. His work is particularly impactful in the domains of sustainable energy and eco-friendly materials, including protein folding, nanocatalysis, and solar cell materials.

🧪 Contributions and Research Focus

At KIT, Celso coordinates the ScienceAI initiative, integrating AI methodologies into theoretical chemistry and chemical data science. His focus lies in bridging theoretical modeling with experimental and industrial applications. He develops advanced workflows and ontologies to streamline research and development, including the use of digital twins. His contributions span high-impact areas such as the MaterialDigital consortium and the Battery2030+ initiative. As a key developer of tools like the SimStack framework and domain-specific workflows (e.g., catalysis, batteries, molecular ML), Celso enhances research reproducibility and scalability.

🌐 Impact and Influence

Celso’s influence extends beyond academia. He served as CEO of the Matmatch Industrial Material Platform from October 2022 to May 2024. This leadership role enabled him to align scientific innovation with real-world industrial needs, promoting sustainability and social value. Through this, he helped create bridges between theoretical models and tangible industrial applications, encouraging collaborative synergies between researchers, developers, and industry professionals.

📚 Academic Cites and Achievements

With over 35 scientific publications, numerous conference talks, and global contributions, Celso has firmly established himself in the scientific community. Among his accolades, the Yvonne Primerano Mascarenhas Prize (2014) and 1st place at the IV SIFSC conference in the Ph.D. student category highlight his early promise and continued excellence.

🧠 Technical Skills

Celso brings a powerful technical toolkit to every project:

  • Languages: Python, Fortran, Matlab, Bash, HTML, CSS, C++, Git, and Docker.

  • Modeling Codes: Expertise in over ten computational methods including DFT, MD, MC, FEM, and AI-driven modeling.

  • Platforms & Tools: Linux (advanced), Office Suite, LaTeX, GIMP, Kdenlive, HPC environments.

  • Development & AI: Functional and OOP, workflow development, generative and predictive AI integration.

  • Software Engineering: Creator of workflow repositories for real-world material modeling such as:

👨‍🏫 Teaching and Mentorship

Throughout his career, Celso has been dedicated to mentoring Ph.D. candidates. He emphasizes research with clear R&D objectives, and many of his mentees have gone on to publish in high-impact journals and present at international conferences. His mentorship style blends technical rigor with a strategic, industry-aware approach, helping shape the next generation of computational scientists.

🚀 Legacy and Future Contributions

With a startup-like mindset, a collaborative spirit, and a strong intercultural background, Celso Rêgo continues to shape the future of theoretical modeling and digital science. His ongoing projects, especially those connected to ScienceAI, are set to redefine how artificial intelligence integrates with scientific discovery. His interdisciplinary approach and strategic vision position him not only as a researcher but as a thought leader poised to influence the next wave of scientific innovation.

Notable Publications

Comparative study of van der Waals corrections to the bulk properties of graphite

Authors: CRC Rêgo, LN Oliveira, P Tereshchuk, JLF Da Silva
Journal: Journal of Physics: Condensed Matter
Year: 2015

Graphene-supported small transition-metal clusters: A density functional theory investigation within van der Waals corrections

Authors: CRC Rêgo, P Tereshchuk, LN Oliveira, JLF Da Silva
Journal: Physical Review B
Year: 2017

Workflow Engineering in Materials Design within the BATTERY 2030+ Project

Authors: J Schaarschmidt, J Yuan, T Strunk, I Kondov, SP Huber, G Pizzi, L Kahle, CRC Rêgo, et al.
Journal: Advanced Energy Materials
Year: 2022

Multifractality of Brazilian rivers

Authors: CRC Rêgo, HO Frota, MS Gusmão
Journal: Journal of Hydrology
Year: 2013

SimStack: an intuitive workflow framework

Authors: CRC Rêgo, J Schaarschmidt, T Schlöder, M Penaloza-Amion, S Bag, et al.
Journal: Frontiers in Materials
Year: 2022