Patrick Avery

Patrick Avery

R&D Engineer

Patrick Avery joined Kitware in March 2019 as a research and development engineer. He develops software for the Open Chemistry project.

Patrick completed his bachelor’s degree in chemistry at Bob Jones University in 2014. He then began his Ph. D. in computational chemistry with the University at Buffalo, where he developed methodology in crystal structure prediction algorithms. During his Ph. D., Patrick participated in the 2016 Google Summer of Code with the Open Chemistry project. He received a Molecular Sciences Software Institute fellowship in the Fall of 2017. Then, in the summer of 2018, he interned with Kitware. In February 2019, he completed all of his doctoral requirements. He received his doctorate in June 2019.

  1. P. Avery, X. Wang, C. Oses, E. Gossett, D. Proserpio, C. Toher, S. Curtarolo, and E. Zurek, "Predicting superhard materials via a machine learning informed evolutionary structure search," npj Computational Materials, vol. 5, no. 1, pp. 89, Dec. 2019. [URL]
  2. P. Avery, C. Toher, S. Curtarolo, and E. Zurek, "XtalOpt Version r12: An open-source evolutionary algorithm for crystal structure prediction," Computer Physics Communications, vol. 237, pp. 274-275, Apr. 2019. [URL]
  3. P. Avery, Z. Falls, and E. Zurek, "XtalOpt version r11: An open-source evolutionary algorithm for crystal structure prediction," Computer Physics Communications, vol. 222, pp. 418-419, Jan. 2018. [URL]
  4. P. Avery, H. Ludowieg, J. Autschbach, and E. Zurek, "Extended Hückel Calculations on Solids Using the Avogadro Molecular Editor and Visualizer," Journal of Chemical Education, vol. 95, no. 2, pp. 331-337, Feb. 2018. [URL]
  5. P. Avery, Z. Falls, and E. Zurek, "XtalOpt Version r10: An open–source evolutionary algorithm for crystal structure prediction," Computer Physics Communications, vol. 217, pp. 210-211, Aug. 2017. [URL]
  6. P. Avery and E. Zurek, "RandSpg: An open-source program for generating atomistic crystal structures with specific spacegroups," Computer Physics Communications, vol. 213, pp. 208-216, Apr. 2017. [URL]
  7. Z. Falls, A. Vacanti, P. Avery, A. Shamp, and E. Zurek, "XtalOpt version r9: An open-source evolutionary algorithm for crystal structure prediction," Computer Physics Communications, vol. 199, pp. 178-179, Feb. 2016. [URL]
  8. A. Shamp, T. Terpstra, T. Bi, Z. Falls, P. Avery, and E. Zurek, "Decomposition Products of Phosphine Under Pressure: PH 2 Stable and Superconducting?," Journal of the American Chemical Society, vol. 138, no. 6, pp. 1884-1892, Feb. 2016. [URL]

Bibliography generated 2019-09-24-10:20:06 (3155)