He Ma
The University of Chicago
Department of Chemistry
5640 South Ellis Avenue
Chicago, IL 60637
Phone: (773) 8347392
Email: mahe at uchicago edu
Former Graduate Student
Education
 B.S. in Chemical Biology, Tsinghua University, China (2015)
 Ph.D. in Chemistry, University of Chicago, (2020)
Areas of Interest
 Firstprinciples 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 manybody perturbation theory
Experience
 2015present, 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
 20112015, 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 solidstate qubits at avoided crossings
PRX Quantum, 2, 010311 (2021)

He Ma, Marco Govoni, and Giulia Galli
Quantum simulations of materials on nearterm 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 UlHassan, 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, 13191325 (2020)

He Ma, Wennie Wang, Siyoung Kim, ManHin 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 firstprinciples calculationsof zerofield splitting tensors
J. Open Source Softw. 5(47), 2160 (2020)

He Ma, Nan Sheng, Marco Govoni, and Giulia Galli
Firstprinciples 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
Finitefield approach to solving the BetheSalpeter equation
Phys. Rev. Lett. 122, 237402 (2019)

Krishnendu Ghosh, He Ma, Vikram Gavini and Giulia Galli
Allelectron 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
Spinphonon interactions in silicon carbide addressed by Gaussian acoustics
Nat. Phys. 15, 490495 (2019)

He Ma, Marco Govoni, Francois Gygi and Giulia Galli
A Finitefield Approach for GW Calculations Beyond the Random Phase Approximation
J. Chem. Theory. Comp. 15(1), 154164 (2019)

Rubén MeanaPañeda, 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), 16931707 (2017)

Hosung Seo, He Ma, Marco Govoni, and Giulia Galli
Designing defectbased qubit candidates in widegap binary semiconductors for solidstate 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)