Responsible for leading digital innovation at Ashland. Developed and implemented a strategy that includes improving digital culture, data management, molecular simulation, and AI. Led several research initiatives integrating computational chemistry and AI for accelerated R&D. Developed and implemented advanced algorithms for molecular simulations, enabling precise predictions of molecular interactions and critical to function properties. Spearheaded interdisciplinary collaborations to enhance the synergy between computational and experimental efforts. Accelerated innovation using cheminformatics and machine learning, to the optimize R&D workflows.

Subject matter expert in computational chemistry and machine learning. Conducted in-depth molecular dynamics simulations to elucidate the behavior and properties of complex chemical systems. Collaborated with cross-functional teams to integrate computational findings into R&D pipelines. Implemented an AI based rational design approach that sped up commercialization of new products with improved quality and benefits.

Accelerated commercialization of the world’s emerging technologies and promoted "home-grown" research projects. Designed new modeling and analysis methods, in collaboration with internal and external organizations, enhancing understanding and prediction of chemical properties and mechanisms. Leveraged advanced computational chemistry, and statistical expertise to create and implement predictive models, guiding product development. Identified and implemented new technical and modeling opportunities that were well aligned with strategic objectives. Adopted computational technology that promoted innovation and collaboration across diverse business and technical functions.• Provided computational chemistry expertise and project management from conceptualization to successful implementation. • Modeling studies supported strategic decision making and new product development. Molecular dynamics simulations and diffusion modeling advanced the understanding of thermal aging and compatibility within polymer matrices, leading to the submission of a patent applications based on this technology.• Facilitated in-depth discussions with key stakeholders and technical experts, gaining comprehensive insights into research processes and fostering new perspectives. • Established impactful partnerships and collaborations that were focused on the design and implementation of cutting-edge technology, resulting in the successful development of high-performance products. • Served as a subject matter expert in computational chemistry, statistics, and modeling for critical projects requiring profound scientific knowledge, effective execution, and leadership. Communicated modeling plans and results proficiently to investigators and leaders across various functions, consistently achieving successful outcomes that surpassed project milestones.

Accountable for leading company-wide utilization of computational chemistry, informatics, knowledge management, and predictive modeling. Developed and implemented a strategy that supported R&D and business needs. Designed and applied predictive computational methods to support the development of several products. Worked on a wide variety of cross-functional product development and research teams to provide guidance, focus, and key insights that led to several new innovative products and shorter product development times.• Molecular dynamics simulations were used to better understand the solubility and diffusion of small molecules in a polymer matrix. This led to successful commercialization of new polymer compositions and architectures for transdermal drug delivery applications. • Used various programming and scripting languages to create new several new computational methods, including Monte Carlo and hybrid molecular dynamics-quantum mechanics simulation methods.• Designed an informatics system that supported high throughput experimentation (HTE). The system utilized a distributed database computing architecture and was designed to effectively manage large amounts of data. This facilitated model building and uncovered hidden relationships between processing and chemical information.• Utilized data mining and advanced statistical methods to develop several “virtual” screening methods that were used to predict and optimize product properties and process outcomes.• Closely collaborated with key customers to complete molecular dynamics studies. This led to a patented method for better control of copolymer sequence during polymerization and successful introduction of several polymer products with improved performance.• Familiar with database systems including Oracle and SQL server. Directed the design, development and implementation of an electronic laboratory notebook for effective management and utilization of structured and unstructured data.

Conducted research and development in new areas of polymer molecular modeling and structure property relationships. Developed new techniques to study the interactions between small molecules and polymers. Worked closely with several research and development groups, including synthetic chemistry and natural polymer research to commercialize new polymer technology. Designed new compounds with desired activity using advanced computational techniques. Developed several “virtual” screening methods to guide product development.• Polymer-surface molecular dynamics studies led to the patented technology for optimizing the composition of polyurethane dispersions.• Quantum mechanics studies of monomer reactivity led to successful commercialization of a major multi-million dollar product line.• Directed the development the new computational modeling tools for macromolecular simulation through active consortium participation.

Worked closely with research staff, synthetic chemists, consultants and management to develop novel functional polymers. These included polymers with high non-linear optical activity for optical computing applications, liquid crystalline polymers (LCP) for high performance engineering applications and polymer composites for barrier applications. Developed and implemented new applications of molecular modeling that facilitated the design of new products with enhanced properties. * Created a state-of-the-art molecular modeling laboratory, resulting in the successful integration of molecular modeling into the technology development process. * Provided detailed structure and mechanistic information that was used to predict the miscibility of polymer blends, which improved the effectiveness of the product formulation process.* Delineated structure property relationships and design rules for polymeric gas barrier membranes.