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MC² 002: CoMD, Molecular Dynamics Proxy Application

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Dr. dedoyin AdetokunboDr. Adedoyin Adetokunbo “Toks”, Staff Scientist
Los Alamos National Laboratory

Dr. Adedoyin Adetokunbo (“Toks”) is currently a Staff Scientist at Los Alamos National Laboratory (LANL). He currently serves as a member of the Future Application and Architectures (FAA) and Application Performance Team (APT). Previously worked as a postdoctoral fellow at University of Notre Dame’s Mechanical Engineering department. He served as a lead in constitutive modeling of complex heterogeneous materials. A native of Nigeria, Toks arrived in Mississippi in the year 2000, and acquired his Bachelor’s in Applied Mathematics and Mechanical Engineering. In addition, he received his Master’s degrees in field of Computational Fluid Dynamics with an emphasis in turbulence modeling in real and spectral space. He then completed his Ph.D. in Computational Engineering with a focus on modeling and simulating phase transformation in polycrystalline materials.


A case study on software modernization using CoMD – a Molecular Dynamics Proxy Application

An integral part of the procurement of newer computer hardware is the accompanied software modernization. In particular, the recent release of many-core architecture has required rethinking the process of software development. This talk will discuss the pre and post process of software modernization. It will touch on best practice guidelines discussed in the context of case studies.

Links: CoMD


Slides:  Colfax-MC2Series-002-Adetokunbo-Adedoyin.pdf (6 MB)

Video: this webinar aired April 4, 2017



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