Molecular-Dynamics

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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

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Name	Region	Skills	Interests
Torey Battelle	MINES	accounts Compiling computational chemistry dependencies gpfs HPC Getting Started HPCs Molecular-Dynamics permissions Quantum-Mechanics scheduling slurm SoftwareInstallation unix environment
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

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 visualization

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