SIAM PP20.odp (608.92 kB)
Challenges and Best Practices in the Computational Molecular Sciences
An overview of the challenges facing the computational molecular sciences community, and some best practices being explored and adopted by developers within the community.
Presented at SIAM PP20 Minisymposium: Improving Productivity and Sustainability for Parallel Computing Software
Funding
S2I2: Impl: The Molecular Sciences Software Institute
Directorate for Computer & Information Science & Engineering
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