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.

The last 35 years has seen a sea change in the field of circadian rhythms. The molecular era began with work in Drosophila (fruit flies), which has been a leading genetic system for more than 100 years. My colleagues and I discovered the mechanism that underlies circadian timing, and it turns out that this mechanism is conserved in all animals. Moreover, the circadian clock governs a large fraction of all gene expression, once again in in fruit flies as well as humans. This explains why such a large fraction of animal physiology (biochemistry, metabolism, endocrinology, behavior, sleep etc.) is governed by the circadian clock. This control indicates that circadian biology will continue to be important to many aspects of human well-being, from jet lag to metabolic disorders, and that it will become increasingly relevant to medicine as more knowledge and applications accrue.

Dr. Ferré and Mr. Halioua will describe how existing orthopedic surgical techniques often provide marginal outcomes as they are “geometry-based” to simply re-position the bones, in particular the foot, into their original position. An improved approach is to consider—through virtual modeling—a “force based” approach to orthopedic reconstruction of the foot. This approach promises to provide improved patient-specific outcomes. Digital Orthopaedics is developing a new system on the 3DEXPERIENCE platform that all orthopedic surgeons will be able to access in order to benefit from “force-based” methods

Weight reduction, whilst maintaining the performance of structures, is a fundamental driver in the automotive, aerospace and energy sectors. Manufacturers are continuing to seek improvement in structural efficiency and reduction in component cost via integrated assembly whilst striving to meet stringent emissions targets and reducing material wastage. Drawing from my research in the field of lightweight design, my presentation will focus on case studies utilizing Abaqus to predict performance and failure of lightweight structures, particularly for fiber reinforced composites, metallic alloys and hybrid connections between dissimilar materials. For each case study, I will share the journey of achieving synergistic numerical and experimental analysis outcomes in order to drive, and successfully validate, innovative design solutions.

Nyle Miyamoto, Additive Manufacturing Chief Engineer in Boeing Commercial Airplanes will share insights into Boeing’s additive manufacturing journey. He will discuss progress the company is making, and describe some of the challenges of implementing Additive Manufacturing in the highly regulated Aerospace industry. Finally, he will communicate how Boeing is leveraging the 3DEXPERIENCE platform to accelerate the development and implementation of this ground breaking technology.

The extraordinary developments in simulation offer enormous potential for acceleration of technologies that have been developed with conventional heuristic approaches, but are essential to society’s future needs. Three examples of the application of advanced carbon fiber composites in different industries will be examined to reveal the challenges and opportunities for simulation in accelerating technological development: aerospace and the Boeing 787 Dreamliner, leisure products and the Americas Cup and automotive and the BMW i3 and i8. The roles of simulation in developing the virtual twin in performance and manufacturing will be explored through the “Composites Virtual Factory” where thirteen Work Flow Applications that utilize Dassault Systèmes’ 3DEXPERIENCE platform, and both CATIA and SIMULIA, are employed to develop end-to-end virtual twins of composites manufacturing processes.

Validation of simulations with the 3DEXPERIENCE platform will be presented for composites extrusion deposition additive manufacturing and molded prepreg platelet composites. Further, the development of “manufacturing informed performance” will be demonstrated, wherein product performance predictions reflect the influence of changes in manufacturing process without the need for conventional empirical testing. Finally, barriers to achieving the goal of pervasive simulation in future product development, such as simulation tool Accessibility, Adaptability, Interoperability, Traceability and User friendliness, as concluded by NASA’s “Vision 2040: A Roadmap for Integrated, Multiscale Modeling and Simulation of Materials and Systems,” will be discussed.