Mohammed Althaf Hussain (Ph.D.)

I am an experienced polymer scientist and computational materials researcher with expertise in molecular dynamics (MD) simulations, rheology, and materials informatics. My work on polymer crystallization from melt and non-equilibrium phase transitions bridges molecular-level understanding of phase behavior with processing and property prediction. Besides, I offer strong project management and technical writing capabilities, making me adept at driving complex R&D projects from conception to execution.  Optimized halo-membrane processing conditions with over 75% accuracy through collaboration with Japan's polymer industry to enable practical applications.  Engaged with industry partners to guide the mechanical properties of bioplastics and commercial plastics using molecular-level approaches and machine learning. Key Areas of Expertise: Molecular Dynamics Simulations: Skilled in using LAMMPS to simulate crystallization, shear, and thermal properties of semicrystalline polymers and their mechanical properties. Additionally, the non-covalent interactions among the atoms and molecules can be traced using the simulations. Artificial Intelligence and Machine Learning: Experience in data engineering for AI-driven predictions, particularly materials optimization. High-Performance Computing: Expertise in high-throughput computations using HPC facilities, integrating QM and MD techniques for material and biological applications. QSAR and Structure-Activity Relationships: Strong background in structure-function prediction, including docking, QSAR, and biomolecular binding analysis. Core Competencies: Homogeneous Catalysis: Expert in catalytic systems for drug discovery and advanced materials. Data Engineering for Machine Learning: Skilled in developing machine learning models from quantum mechanics and MD simulations for materials and drug research. Multiscale Modeling: Specializing in semicrystalline polymers, including mechanical properties and morphology analysis. Technical Writing & Communication: Extensive experience in documenting complex research and presenting findings to scientific publications and international presentations. I am actively seeking new opportunities where I can apply my computational chemistry expertise to drive innovation in the semiconductor industry and polymer R&D. If you're looking for a passionate researcher with a strong blend of technical skills and industry knowledge, feel free to connect!