September 30th, 2021 – New Developments and Applications in Materials Simulations

SCIENOMICS inaugurates the 9th year of SCIENOMICS WEBINAR series where participants learn and exchange about developments and applications of materials simulations. This new series of webinars will focus even more on issues where materials simulations can contribute to achieve reduction in carbon footprint, reduce waste, management product performance, develop alternative energy sources.

The first webinar which will take place on Sept. 30. We will have two speakers representing, two different communities and application areas.

The first speaker, Dr. Francisco Guzman, Research Chemical Engineer at NASA John H. Glenn Research Center will talk about simulations of soot formations with reactive force field using MAPS and LAMMPS with the title: “Reactive Molecular Dynamics Simulations of Surrogate Jet Fuels”.

The next speaker will be Dr. Steve Plimpton from the LAMMPS developers group at Sandia National Labs., who will present the latest developments in LAMMPS. The title of Steve’s talk is: “Recent developments in the LAMMPS molecular dynamics package”.

The webinar will be complemented by a presentation from SCIENOMICS, where MAPS Build > Simulate > Analyze capability will be showcased, including cases where MAPS has been used to deliver critical information in product design.

ATTENTION: This webinar will last for one and a half hours!


The cases presented will inform the participants of the newest development in modern molecular dynamics as represented by LAMMPS and show an exciting application of the technology:

  • Recent developments in the LAMMPS molecular dynamics package
  • Reactive Molecular Dynamics Simulations of Surrogate Jet Fuels

 

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Reactive molecular dynamics with LAMMPS

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