He Ma

Former Graduate Student

Education

• B.S. in Chemical Biology, Tsinghua University, China (2015)
• Ph.D. in Chemistry, University of Chicago, (2020)

Areas of Interest

• First-principles simulation of defects in semiconductors for quantum information processing, including development of methods to simulate the electronic structure and spin Hamiltonian of defects, theoretical interpretation of relevant experimental observations and exploration of novel defects
• Development of density functional theory and many-body perturbation theory

Experience

• 2015-present, Graduate Student, University of Chicago.
• 2014 summer, Visiting Student, University of Minnesota, Prof. Donald G. Truhlar's Group: computational kinetics study of small molecule reactions
• 2011-2015, Undergraduate Researcher, Tsinghua University, Prof. Zhigang Shuai's Group: first principle simulation of charge transport processes in organic semiconductors; development of excited state density matrix renormalization group algorithm.

Publications

• He Ma, Nan Sheng, Marco Govoni, and Giulia Galli
  Quantum Embedding Theory for Strongly Correlated States in Materials
  J. Chem. Theory Comput. 2021, 17, 4, 2116–2125 (2021)
• M. O. Onizhuk, Kevin C. Miao, Joseph P. Blanton, He Ma, Christopher P. Anderson, Alexandre Bourassa, David D. Awschalom, and Giulia Galli.
  Probing the coherence of solid-state qubits at avoided crossings
  PRX Quantum, 2, 010311 (2021)
• He Ma, Marco Govoni, and Giulia Galli
  Quantum simulations of materials on near-term quantum computers
  npj Comput. Mater., 6, 85 (2020)
• Alexandre Bourassa, Christopher P. Anderson, Kevin C. Miao, Mykyta Onizhuk, He Ma, Alexander L. Crook, Hiroshi Abe, Jawad Ul-Hassan, Takeshi Ohshima, Nguyen T. Son, Giulia Galli & David D. Awschalom
  Entanglement and control of single nuclear spins in isotopically engineered silicon carbide
  Nat. Mater., 19, 1319-1325 (2020)
• He Ma, Wennie Wang, Siyoung Kim, Man-Hin Cheng, Marco Govoni, and Giulia Galli
  PyCDFT: A Python package for constrained density functional theory
  J. Open Source Softw. 41, 1859 (2020)
• He Ma, Marco Govoni, and Giulia Galli
  PyZFS: A Python package for first-principles calculationsof zero-field splitting tensors
  J. Open Source Softw. 5(47), 2160 (2020)
• He Ma, Nan Sheng, Marco Govoni, and Giulia Galli
  First-principles studies of strongly correlated states in defect spin qubits in diamond
  Phys. Chem. Chem. Phys., Advance Article (2020)
• Ngoc Linh Nguyen, He Ma, Marco Govoni, Francois Gygi and Giulia Galli
  Finite-field approach to solving the Bethe-Salpeter equation
  Phys. Rev. Lett. 122, 237402 (2019)
• Krishnendu Ghosh, He Ma, Vikram Gavini and Giulia Galli
  All-electron density functional calculations for electron and nuclear spin interactions in molecules and solids
  Phys. Rev. Mat. 3, 043801 (2019)
• Samuel J. Whiteley, Gary Wolfowicz, Christopher P. Anderson, Alexandre Bourassa, He Ma, Meng Ye, Gerwin Koolstra, Kevin J. Satzinger, Martin V. Holt, F. Joseph Heremans, Andrew N. Cleland, David I. Schuster, Giulia Galli, David D. Awschalom
  Spin-phonon interactions in silicon carbide addressed by Gaussian acoustics
  Nat. Phys. 15, 490-495 (2019)
• He Ma, Marco Govoni, Francois Gygi and Giulia Galli
  A Finite-field Approach for GW Calculations Beyond the Random Phase Approximation
  J. Chem. Theory. Comp. 15(1), 154-164 (2019)
• Rubén Meana-Pañeda, Xuefei Xu, He Ma, Donald G. Truhlar
  Computational kinetics by variational transition state theory with semiclassical multidimensional tunneling: direct dynamics rate constants for the abstraction of H from CH3OH by triplet oxygen atoms
  J. Phys. Chem. A. 121(8), 1693-1707 (2017)
• Hosung Seo, He Ma, Marco Govoni, and Giulia Galli
  Designing defect-based qubit candidates in wide-gap binary semiconductors for solid-state quantum technologies
  Phys. Rev. Mat. 1, 075002 (2017)
• Yuqian Jiang, Qian Peng, Hua Geng, He Ma, Zhigang Shuai
  Negative isotope effect for charge transport in acenes and derivatives – a theoretical conclusion
  Phys. Chem. Chem. Phys. 17, 3273 (2015)
• He Ma, Jiajun Ren, Zhigang Shuai
  Comparative study on the methodologies for calculating the excited state in DMRG
  Science China Chemistry 45, 1316 (2015)