Legacy Replays

Early in his career Karplus studied magnetic resonance spectroscopy; of particular interest was his theoretical analysis of nuclear spin-spin coupling constants. He made fundamental contributions to the theory of reactive collisions between small molecules based upon trajectory calculations. He was one of the first researchers to apply many-body perturbation theory to atomic and molecular systems. He has studied quantum mechanical processes in biological molecules, such as the bonding of oxygen to hemoglobin and the photochemistry of visual pigments. His more recent work has been concerned with the development of molecular dynamics and other simulation methods for the elucidation of the properties of proteins and nucleic acids. He is now studying enzymatic reactions, protein folding, and the function of biomolecular motors.

Over the years, Dr. Karplus has conducted research in many areas of theoretical chemistry and biochemistry and has presented his results in over 800 journal articles and book chapters, as well as two books. His primary interest has been to develop and employ theoretical methods for increasing our understanding of chemical and biological problems. His contributions have been instrumental in the transformation of theory from a specialized field to a central part of modern chemistry and more recently of structural biology.

In this talk, we first look at a different way in which we have been using the software Abaqus: as a convenient platform for the implementation of new numerical methods for structural design.

To illustrate this, we present three developments whereby we have used creatively programmable user interfaces in Abaqus to represent and then solve physical problems in ways that Abaqus was not designed to do. In particular, we present (i) a Multi-Physics Molecular Dynamics Finite Element Method for the design of graphene-based devices, (ii) a floating node method for the accurate representation of kinking cracks, i.e. cracks that suddenly change orientation, e.g. when reaching an interface between two materials; and (iii) a mesh superposition technique for efficient concurrent multiscale structural analysis. Second, we explore ongoing activities aimed at changing how we look at materials in structural design: from a given to an actual element that can be designed for a specific purpose together with the structure, point by point. As an example, we show the design and experimental validation of carbon-fiber composite microstructures leading to an engineered fracture response with improved damaged tolerance.

Explore the remarkable journey of Royal Enfield with Rod Giles, head of CA and CAD at the iconic motorcycle company. Learn about Royal Enfield's evolution from producing 50,000 motorcycles annually to over 800,000, thanks to cutting-edge computer-aided engineering and simulation technologies. Discover how Royal Enfield utilizes Dassault Systèmes' tools like Abacus, iSight, Tosca, and Simpac to refine motorcycle designs, enhance performance, and solve customer issues. Dive into the specifics of their recent achievements with the launch of the Interceptor and Continental 650, the first twin-engine motorcycles produced in India.