Molecular-Dynamics

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Projects

Project Title	Project Institution	Project Owner	Tags	Status
Understanding Mechanical Properties of Bio-interfaces with HPC Molecular Simulations	University of Vermont	Juan Vanegas	HPC, computational chemistry, Simulations, Molecular-Dynamics, gromacs, BioInformatics, python, mpi	Complete

Student Facilitators

Name	Skills	Interests
Danial Ahmed	Community Outreach matlab Molecular-Dynamics

Mentors and Regional Facilitators

Name	Region	Skills	Interests
Torey Battelle	MINES	accounts Compiling computational chemistry dependencies gpfs HPC Getting Started HPCs Molecular-Dynamics more...
Lisa Perez	SWEETER	computational chemistry gaussian Molecular-Dynamics Quantum-Mechanics Technical Training for HPC
Thomas Cheatham	RMACC	Community Outreach computational chemistry gpus Management/Professional Development Molecular-Dynamics Proposal Development Researcher-facing Workforce Development	CyberInfrastructure Data-facing Management/Professional Development Researcher-facing Systems-facing
Jacob Pessin	Northeast	aws bash batch jobs big data BioInformatics Cloud/VM ClusterSupport condor more...
Juan Vanegas	Northeast	bash batch jobs BioInformatics Compiling conda environment-modules HPC HPC Cluster build more...

Researchers and Educators

Name	Skills	Interests
Yves Dubief	big data Molecular-Dynamics mpi parallelism performance Programming Languages and Software Support python visualization	batch jobs Molecular-Dynamics mpi parallelism performance programming programming best practices python more...

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