About the Authors

Matthew C. Schmidt

Contributed equally to this work with: Matthew C. Schmidt, Andrea M. Rocha

Affiliations Department of Computer Science, North Carolina State University, Raleigh, North Carolina, United States of America, Computer Science and Mathematics Division, Oak Ridge National Laboratory, Oak Ridge, Tennessee, United States of America

Andrea M. Rocha

Contributed equally to this work with: Matthew C. Schmidt, Andrea M. Rocha

Affiliation Department of Civil and Environmental Engineering, University of South Florida, Tampa, Florida, United States of America

Kanchana Padmanabhan

Affiliations Department of Computer Science, North Carolina State University, Raleigh, North Carolina, United States of America, Computer Science and Mathematics Division, Oak Ridge National Laboratory, Oak Ridge, Tennessee, United States of America

Yekaterina Shpanskaya

Affiliation Neuroscience Department, Duke University, Durham, North Carolina, United States of America

Jill Banfield

Affiliations Departments of Earth and Planetary Science, University of California, Berkeley, California, United States of America, Environmental Science, Policy, & Management, University of California, Berkeley, California, United States of America, Geochemistry Department, Lawrence Berkeley National Laboratory Earth Sciences Division, Berkeley, California, United States of America

Kathleen Scott

Affiliation Department of Integrative Biology, University of South Florida, Tampa, Florida, United States of America

James R. Mihelcic

Affiliation Department of Civil and Environmental Engineering, University of South Florida, Tampa, Florida, United States of America

Nagiza F. Samatova

samatova@csc.ncsu.edu

Affiliations Department of Computer Science, North Carolina State University, Raleigh, North Carolina, United States of America, Computer Science and Mathematics Division, Oak Ridge National Laboratory, Oak Ridge, Tennessee, United States of America

Competing Interests

The authors have declared that no competing interests exist.

Author Contributions

Developed and implemented the computational model and the algorithm and conducted computational experiments: MCS KP. Provided biological validation: AMR YS JB KS. Provided the initial draft of the manuscript: MCS AMR KP YS. Suggested and supervised the study related to the hydrogen production from wastewater and waste materials: JRM. Provided the problem statement, supervised the development of the computational methodology, and provided suggestions on methodology validation: NFS. Contributed to preparing the final version of the manuscript: KS JRM JB NFS. All authors have read and approved the final manuscript. .