Computational Chemistry Expert InSilicoMinds

3.0 - 7.0 years

0 Lacs

hyderabad, telangana

On-site

About Us: InSilicoMinds is a leader in the application of computational modeling and simulation (CM&S) for pharmaceutical research and development. We focus on harnessing cutting-edge in silico technologies to streamline drug design, formulation development, and regulatory submissions. Our innovative approaches help to accelerate drug discovery while optimizing formulations and ensuring high-quality manufacturing processes. Position Overview: We are looking for a highly skilled and motivated Computational Chemistry Expert with hands-on experience in retrosynthesis and reaction simulation. The ideal candidate will have deep expertise in computational chemistry tools and software, with a focus on optimizing reaction pathways to achieve high yields, minimal impurities, and selective production of specific isomers and polymorphs. Key Responsibilities: Lead retrosynthesis projects aimed at developing efficient synthetic routes for pharmaceutical compounds. Simulate reaction pathways and optimize reaction conditions, including solvent selection, temperature, and reagent concentrations, to maximize desired product yield. Address challenges related to regioselectivity, stereoselectivity, and polymorphism, ensuring the selective formation of specific isomers and crystalline forms. Collaborate with cross-functional teams, including synthetic chemists and formulators, to translate computational insights into experimental protocols. Utilize advanced computational chemistry tools and software to predict reaction outcomes, impurity formation, and scalability of processes. Continuously explore new computational methodologies and contribute to the development of in silico tools and workflows within the organization. Present and defend findings and strategies in project meetings, contributing to decision-making processes. Qualifications: Ph.D./ masters in computational chemistry, Organic Chemistry, or a related field, with strong knowledge of retrosynthesis and reaction mechanism modeling. Proven experience in simulating chemical reactions and optimizing reaction parameters to improve yield, reduce impurities, and control isomer or polymorph formation. Proficiency in computational chemistry software, such as Gaussian, Schrdinger, ORCA, or similar tools. Familiarity with molecular modeling techniques, including quantum chemistry, molecular dynamics, and thermodynamic simulations. Strong analytical skills and problem-solving abilities with attention to detail. Excellent communication skills and ability to work in a collaborative, interdisciplinary team environment. Preferred Experience: Experience with cheminformatics tools and databases for reaction prediction. Knowledge of AI or machine learning applications in retrosynthesis or reaction optimization. Experience in the pharmaceutical or chemical industry, especially in synthetic route design or process optimization.,

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