Peter W Doak Senior Scientific Software Engineer Contact doakpw@ornl.gov All Publications Software engineering to sustain a high-performance computing scientific application: QMCPACK... Spin-singlet topological superconductivity in the attractive Rashba-Hubbard model A High-Performance Design for Hierarchical Parallelism in the QMCPACK Monte Carlo code Machine-Learning Accelerated Studies of Materials with High Performance and Edge Computing... Anharmonic stabilization of ferrielectricity in CuInP2Se6... QMCPACK: Advances in the development, efficiency, and application of auxiliary field and real-space variational and diffusion... Accelerating DCA++ (Dynamical Cluster Approximation) Scientific Application on the Summit supercomputer... Probing Surface Chemistry at an Atomic Level: Decomposition of 1-Propanethiol on GaP(001) (2 × 4) Investigated by STM, XPS, ... A Microfluidics and Agent-Based Modeling Framework for Investigating Spatial Organization in Bacterial Colonies: The Case of ... Thermodynamic Control of Two-Dimensional Molecular Ionic Nanostructures on Metal Surfaces... Interplay of Bias-Driven Charging and the Vibrational Stark Effect in Molecular Junctions... Key Links Curriculum Vitae Google Scholar ORCID GitHub Organizations Computing and Computational Sciences Directorate Computational Sciences and Engineering Division Advanced Computing Methods for Physical Sciences Section Computational Chemistry and Nanomaterials Sciences Group User Facilities Center for Nanophase Materials Sciences Physical Sciences Directorate
