Shantenu Jha

Prof. Shantenu Jha is responsible for the (i) software engineering process, (ii) middleware upon which MolSSI supported science and codes will depend, and (iii) engaging with NSF production infrastructure. The first includes oversight of the requirements engineering activities, as well as consistent and coherent approaches for acceptance testing, QA, release protocols and software integration across MolSSI teams, community and third party contributions. It also involves testing suites at all three levels — development, deployment and execution on production infrastructure. The second responsibility entails directing the design and development of the middleware upon which MolSSI codes and science depends, and their integration on high-performance computing platforms. The third responsibility requires engagement with NSF production infrastructure providers and supercomputing centers to ensure MolSSI developments, priorities and roadmaps are aligned with their needs, capabilities and technology roadmap.