Dr. Faranak Hatami | Computational Chemistry | Best Researcher Award

Dr. Faranak Hatami | Computational Chemistry | Best Researcher Award

Dr. Faranak Hatami , Computational Chemistry , PhD at University of massachuessetes Lowell, United States

Faranak Hatami (Fara) is a dedicated physicist and researcher specializing in molecular dynamics simulations, machine learning, and nuclear materials science. Currently pursuing her Ph.D. in Physics at the University of Massachusetts Lowell, she focuses on transport property analysis and multi-objective optimization for molecular systems like Tri-Butyl-Phosphate (TBP). Faranak holds two master’s degrees—one in Physics from UMASS Lowell, where she explored force fields for TBP, and another in Nuclear Engineering from Shahid Beheshti University, where she investigated radiation damage in metals. With a robust background in computational physics, AI, and advanced simulation tools, she has authored multiple publications across nuclear materials and computational chemistry. Her teaching experience spans both the U.S. and Iran, reflecting her passion for education. Beyond academia, she completed a research internship at the University of Montreal. Faranak’s work bridges fundamental physics and practical applications, contributing innovative insights to the fields of material science and chemical engineering.

Professional Profile : 

Google Scholar 

Summary of Suitability for Award:

Faranak Hatami is a highly suitable candidate for a “Best Researcher Award”. She demonstrates exceptional multidisciplinary expertise spanning physics, molecular dynamics, machine learning, and nuclear materials science. Her Ph.D. work at UMASS Lowell innovatively combines atomic-scale simulations with AI to optimize force field parameters for Tri-Butyl-Phosphate, addressing both fundamental science and practical applications.  She has authored several impactful publications in reputable journals and preprints, covering diverse topics from radiation damage in metals to machine learning models predicting thermodynamic properties. Her research portfolio includes complex computational modeling, multi-objective optimization, and advanced materials analysis. Additionally, Faranak’s teaching record and successful research internship in Canada reflect her commitment to knowledge dissemination and international collaboration. Her ability to merge computational physics with machine learning showcases originality and forward-thinking, key attributes for top research honors. Faranak Hatami embodies the qualities of a best researcher: scientific rigor, innovative thinking, multidisciplinary skillset, and impactful publications. Her contributions significantly advance computational methods in physical sciences and engineering, making her a strong and deserving candidate for a “Best Researcher Award”.

🎓Education:

 Faranak Hatami is completing her Ph.D. in Physics at the University of Massachusetts Lowell (2021–2025), with her thesis focused on transport property analysis and optimization of force field parameters for Tri-Butyl-Phosphate (TBP), combining atomic-scale simulations with machine learning. Prior to this, she earned her M.Sc. in Physics from the same university in 2023, where she conducted a comparative study of force fields for liquid TBP using molecular dynamics. Earlier, she obtained her M.Sc. in Nuclear Engineering from Shahid Beheshti University in Iran (2016), where she examined radiation damage effects on zirconium and iron grain boundaries through simulations. Her academic journey began with a B.S. in Electrical Engineering from Kurdistan University in 2013. Throughout her studies, Faranak has integrated advanced computational methods, AI, and experimental data analysis, building a multidisciplinary foundation that connects physics, materials science, and engineering disciplines.

🏢Work Experience:

Faranak Hatami brings diverse experience across research, teaching, and technical projects. At UMASS Lowell, she serves as a Teaching Assistant in Physics while pursuing her Ph.D., guiding students through complex concepts. Previously, she lectured on Computational Methods and Statistical Methods and Physics courses at Shahid Beheshti University between 2014 and 2018. Her research career includes an internship at the University of Montreal (2019–2021), exploring hydrogen’s effects on iron grain boundaries using the kinetic activation relaxation technique (k-ART). Faranak has led significant academic projects spanning molecular dynamics simulations, multi-objective optimization, and machine learning applications in material science. She has deep expertise in computational tools such as LAMMPS, MCNP, VASP, and Python-based AI frameworks. Her work reflects a unique blend of fundamental physics research, practical problem-solving, and advanced data analysis, contributing to fields like chemical engineering, nuclear materials, and computational modeling.

🏅Awards: 

 Faranak Hatami has built an impressive research portfolio during her academic career, reflected in multiple publications and conference presentations. While specific named awards were not explicitly listed in her profile, her contributions have earned her recognition through invited presentations such as at the AIChE Annual Meeting, showcasing her expertise in molecular dynamics simulations and force field optimization. Completing dual M.Sc. degrees in Physics and Nuclear Engineering highlights her dedication and academic excellence. Her selection as a research intern at the University of Montreal, working on advanced computational studies in materials science, further underscores her capability and esteem in her field. Through her multidisciplinary approach integrating AI, molecular modeling, and nuclear materials science, she stands out as a rising scholar contributing valuable insights to computational physics and chemical engineering. As she advances her Ph.D., she is poised for further accolades in research innovation and scientific community engagement.

🔬Research Focus:

 Faranak Hatami focuses her research on the intersection of molecular dynamics simulations, machine learning, and materials science. Her Ph.D. work centers on analyzing transport properties and optimizing force field parameters for Tri-Butyl-Phosphate (TBP) using multi-objective optimization algorithms like NSGA-II/III. She applies molecular dynamics to predict critical thermodynamic and transport properties, integrating neural networks for parameter tuning. Additionally, she explores AI-based classification of microscopy and atomic-scale images, blending physics with cutting-edge data science. Faranak’s earlier research in nuclear engineering examined radiation damage in metals such as zirconium and nickel, utilizing techniques like climbing image nudged elastic band (CI-NEB) for defect analysis. She’s also investigated hydration free energies, grain boundary behaviors, and primary knock-on atom (PKA) spectra in irradiated materials. Her work bridges computational physics with practical engineering challenges, advancing predictive models and simulation methods to better understand complex molecular and material systems.

Publication Top Notes:

Comparative Analysis of Machine Learning Models for Predicting Viscosity in Tri-n-Butyl Phosphate Mixtures Using Experimental Data

Citations: 6

Quantification of Methane Hydration Energy Through Free Energy Perturbation Method

Comparison of Different Machine Learning Approaches to Predict Viscosity of Tri-n-Butyl Phosphate Mixtures Using Experimental Data

Citations: 3

Properties of Tri-Butyl-Phosphate from Polarizable Force Field MD Simulations

Citations: 1

A Revision of Classical Force Fields for Tri-N-Butyl Phosphate Molecular Dynamics Simulations

Interaction of primary cascades with different atomic grain boundaries in α-Zr: An atomic scale study

Citations: 34

An energetic and kinetic investigation of the role of different atomic grain boundaries in healing radiation damage in nickel

Citations: 31

Mr. ROSHAN KUMAR | Materials Chemistry | Best Researcher Award

Mr. ROSHAN KUMAR | Materials Chemistry | Best Researcher Award

Mr. ROSHAN KUMAR , Materials Chemistry , Senior Scientist at CSIR – National Metallurgical Laboratory, India

Dr. Roshan Kumar is a highly accomplished Senior Scientist at CSIR–National Metallurgical Laboratory, Jamshedpur. With an academic foundation from premier institutes like IIT Delhi and NIT Jamshedpur, he brings over a decade of research and industrial experience in materials science, mechanical design, and manufacturing. His expertise spans from engine integration design at Tata Motors to pioneering research in biodegradable implants, hydrogen energy, and advanced metallurgy at CSIR-NML. He is actively involved in national research projects including DRDO, DST, and CSIR initiatives. Known for his innovative thinking and multidisciplinary research capabilities, he has significantly contributed to the development of green hydrogen solutions and advanced manufacturing processes. Dr. Kumar is also a passionate advocate for technology-driven social change, participating in programs like Women Technology Park. With multiple publications in reputed international journals and awards to his credit, he continues to bridge academic excellence and applied engineering for societal advancement.

Professional Profile : 

Scopus 

Summary of Suitability for Award:

Dr. Roshan Kumar exemplifies the qualities of an outstanding researcher, with a strong academic background from premier institutions like IIT Delhi and NIT Jamshedpur, and over a decade of professional experience across industry and research. Currently a Senior Scientist at CSIR–National Metallurgical Laboratory, he has made significant contributions to materials research, particularly in biodegradable implants, hydrogen energy, computational modeling, and metal corrosion studies. His work bridges computational science with experimental materials design, reflecting innovation and societal relevance. Recognized with an All India Rank 3 in CSIR-NET and a Best Poster Award at an international hydrogen conference, he has authored impactful publications in high-ranking journals. His leadership in interdisciplinary CSIR and DST projects underscores his collaborative and forward-looking research approach. With a clear focus on materials science and clean energy, Dr. Kumar’s achievements demonstrate excellence, innovation, and real-world application. Dr. Roshan Kumar is highly suitable for the “Best Researcher Award”, given his exemplary track record in research innovation, publication impact, national-level project leadership, and meaningful contributions to sustainable and advanced technologies.

🎓Education:

Dr. Roshan Kumar’s educational journey showcases academic brilliance and technical depth. He earned his M.Tech in Design Engineering from Indian Institute of Technology (IIT) Delhi in 2015 with an impressive CGPA of 9.115, demonstrating strong command in mechanical design and computational engineering. He completed his B.Tech in Production Engineering and Management from NIT Jamshedpur in 2010, securing a GPA of 8.65, laying a robust foundation in manufacturing and production systems. His schooling reflects consistent academic performance with 72% in CBSE (2005) from VBCV, Jamshedpur, and 69.2% in Class X (2003) under the Jharkhand Board from SJS, Jamshedpur. His early academic achievements were further validated by an All India Rank 3 in CSIR-NET, earning him eligibility for the prestigious Shyama Prasad Mukherjee Fellowship (2013). This strong educational background has fueled his contributions to scientific research, innovation, and national R&D missions.

🏢Work Experience:

Dr. Roshan Kumar currently serves as a Senior Scientist at the Engineering Division of CSIR–NML, Jamshedpur (Dec 2019 – Present), where he leads and contributes to projects involving materials science, hydrogen energy, and biodegradable implants. Before joining CSIR, he worked as a Senior Manager at Tata Motors Limited (Sept 2015 – Nov 2019) in the Engine Integration Design department at the Engineering Research Centre, Jamshedpur. His role involved design validation, component analysis, and optimization in automotive engineering. Earlier, he began his career at Mahindra and Mahindra Limited (July 2010 – June 2011) as a Graduate Apprentice Trainee in the Engine Department at Rudrapur. Across these roles, Dr. Kumar has built a strong reputation in integrating academic research with industrial applications, especially in engine systems, manufacturing technology, and metallurgical engineering. His experience spans both applied research and industrial innovation, making him a valuable contributor to national science missions.

🏅Awards: 

Dr. Roshan Kumar has received notable recognition for his research excellence and academic accomplishments. He secured an All India Rank 3 in the CSIR-NET Examination, qualifying him for the Shyama Prasad Mukherjee Fellowship in 2013, one of the most prestigious fellowships for young researchers in India. In 2023, he was honored with the Best Poster Award at the 1st International Conference on Green Hydrogen for Global De-carbonization, recognizing his innovative work in clean energy research. His award-winning contributions span materials design, hydrogen generation, and advanced manufacturing. Additionally, his work is frequently cited and featured in reputed international journals, establishing his scholarly impact. These accolades highlight his dedication to solving global engineering challenges and his capacity to influence cutting-edge research in sustainable technologies, materials development, and design engineering. His involvement in national-level projects and active membership in multiple CSIR initiatives further solidify his reputation as a leading researcher in his field.

🔬Research Focus:

Dr. Roshan Kumar’s research is focused on materials engineering, design optimization, and clean energy technologies, with a keen interest in sustainable manufacturing. His key contributions include the development of biodegradable Mg/Zn-based implants, atomic-scale corrosion studies, and hydrogen generation through metal–water reactions. At CSIR–NML, he has led and co-led projects on machinability of Mg alloys, electroplating systems for medical applications, and weldability of high-strength steels in collaboration with DRDO and Tata Steel. His work blends computational simulations, molecular dynamics, and experimental validations to explore fracture toughness, fatigue behavior, and additive manufacturing processes. He also contributes to the CSIR Integrated Skill Training and Phenome India Health Cohort initiatives. His interdisciplinary approach leverages simulation, materials science, and product design to create real-world engineering solutions. Dr. Kumar’s work plays a pivotal role in India’s R&D landscape, especially in advancing green hydrogen energy, smart materials, and medical-grade alloys.

Publication Top Notes:

1. Atomic Investigation of Corrosion Mechanism and Surface Degradation of Fe–Cr–Ni Alloy in Presence of Water: Advanced Reactive Molecular Dynamics Simulation

Citations: 2

2. Atomistic Characterization of Multi Nano‑Crystal Formation Process in Fe–Cr–Ni Alloy During Directional Solidification: Perspective to the Additive Manufacturing