Publications, Talks and Tutorials


  1. "Generalized Unitary Coupled Cluster Wavefunctions for Quantum Computation" by Lee, Huggins, Head-Gordon, Whaley, J. Chem. Theory Comput. 15, 311 (2018)
  2. "Reinforcement learning for autonomous preparation of Floquet-engineered states: Inverting the quantum Kapitza oscillator" by Bukov, Phys. Rev. B 98, 224305 (2018)
  3. "Disentangling Scrambling and Decoherence via Quantum Teleportation" by Yoshida and Yao, Phys. Rev. X 9, 011006 (2019)
  4. "Glassy Phase of Optimal Quantum Control" by Day, Bukov, Weinberg, Mehta, Sels, Phys. Rev. Let. 122, 020601 (2019)
  5. "Towards Quantum Machine Learning with Tensor Networks" by Huggins, Patel, Whaley and Stoudenmire, Quantum Sci. Technol. 4, 024001 (2019)
  6. "Verified Quantum Information Scrambling" by Landsman, Figgat, Schuster, Linke, Yoshida, Yao and Monroe, Nature 567, 61 (2019)
  7. "Parametric Heating in a 2D Periodically Driven Bosonic System: Beyond the Weakly Interacting Regime" by Boulier, Maslek, Bukov, Bracamontes, Magnan, Lellouch, Demler, Goldman, Porto, Phys. Rev. X 9, 011047 (2019)
  8. "Probing scrambling using statistical correlations between randomized measurements" by Vermersch, Elben, Sieberer, Yao, Zoller, Phys. Rev. X 9, 021061 (2019)
  9. "Postponing the orthogonality catastrophe: efficient state preparation for electronic structure simulations on quantum devices" by Tubman, Zaera, Epstein, Hai, Levine, Huggins, Jiang, McClean, Babbush, Head-Gordon, Whaley
  10. "A high-bias, low-variance introduction to Machine Learning for physicists" by Mehta, Bukov, Wang, Day, Richardson, Fisher, Schwab, Phys. Rep. 810, 1 (2019)
  11. "Generalized swap networks for near-term quantum circuit embedding" by O'Gorman, Huggins, Rieffel, Whaley
  12. "Multistart methods for quantum approximate optimization" by Shaydulin, Safro, Larson
  13. "Quantum Chemistry in the Age of Quantum Computing" by Cao, Romero, Olson, Degroote, Johnson, Kieferová, Kivlichan, Menke, Peropadre, Sawaya, Sim, Veis, Aspuru-Guzik, Chem. Rev. 119, 10856 (2019)
  14. "QuSpin: a Python Package for Dynamics and Exact Diagonalisation of Quantum Many Body Systems. Part II: bosons, fermions and higher spins", by Weinberg, Bukov, SciPost Phys. 7, 020 (2019)
  15. "An Artificial Spiking Quantum Neuron" by Kristensen, Degroote, Wittek, Aspuru-Guzik, Zinner
  16. "Geometric Speed Limit of Accessible Many-Body State Preparation" by Bukov, Sels, Polkovnikov, Phys. Rev. X 9, 011034 (2019)
  17. "Efficient and Noise Resilient Measurements for Quantum Chemistry on Near-Term Quantum Computers" by Huggins, McClean, Rubin, Jiang, Wiebe, Whaley, Babbush
  18. "Discontinuous Galerkin discretization for quantum simulation of chemistry" by McClean, Faulstich, Zhu, O'Gorman, Qiu, White, Babbush, Lin
  19. "Parameterization of Tensor Network Contraction" by O'Gorman, in 14th Conference on the Theory of Quantum Computation, Communication and Cryptography (TQC 2019), Ed. van Dam and Mančinska, 10:1–10:19 (2019)
  20. "Engineered thermalization of quantum many-body systems" by Metcalf, Moussa, de Jong, Sarovar
  21. "Quantum linear system solver based on time-optimal adiabatic quantum computing and quantum approximate optimization algorithm" by An, Lin
  22. "Quantum error detection improves accuracy of chemical calculations on a quantum computer" by Urbanek, Nachman, de Jong
  23. "Unfolding Quantum Computer Readout Noise" by Nachman, Urbanek, de Jong, Bauer
  24. "Solving quantum linear system problem with near-optimal complexity" by Lin, Tong
  25. "Robust Control Optimization for Quantum Approximate Optimization Algorithm" by Dong, Meng, Lin, Kosut, Whaley
  26. "A Non-Orthogonal Variational Quantum Eigensolver" by Huggins, Lee, Baek, O'Gorman, Whaley
  27. "QFAST: Quantum Synthesis Using a Hierarchical Continuous Circuit Space" by Younis, Sen, Yelick, Iancu
  28. "Chemistry on quantum computers with virtual quantum subspace expansion" by Urbanek, Camps, Van Beeumen, de Jong
  29. "Classical Optimizers for Noisy Intermediate-Scale Quantum Devices" by Lavrijsen, Tudor, Müller, Iancu, de Jong
  30. "Near-optimal ground state preparation" by Lin and Tong
  31. "Efficient phase factor evaluation in quantum signal processing" by Dong, Meng, Whaley, Lin
  32. "Experimental demonstration of a quantum generative adversarial network for continuous distributions" by Anand, Romero, Degroote, Aspuru-Guzik
  33. "Random circuit block-encoded matrix and a proposal of quantum LINPACK benchmark" by Don and Lin

Invited Talks

  1. de Jong, "Bypassing exascale computing with machine learning and quantum computing for chemical sciences", presented at IBM Almaden, CA - November 2017
  2. de Jong, "Enabling Scientific Discovery in Chemical Sciences on Quantum Computers", Q2B Conference, Mountain View, CA - December 2017
  3. de Jong, "Bypassing exascale with quantum computing for chemical sciences", PRIME Global Open Innovation Network workshop on Quantum Computing, San Francisco, CA - March 2018
  4. de Jong, "Machine learning and quantum computing for chemistry as an alternative to exascale computing", Pitzer Center Theoretical Chemistry Seminar, Berkeley, CA - April 2018
  5. Yao, "Quantum simulation of non-equilibrium phases", Algorithms for Today's Quantum Processors Workshop, Santa Monica CA - May 2018
  6. de Jong, "Quantum chemistry and quantum computers as a platform for scientific discovery", Keynote, Joint Science Meeting Stony Brook and Japanese Universities, Stony Brook, NY - May 2018
  7. Whaley, "Quantum Computation - the Promise and the Path", 16th International Conference on Quantum Chemistry, Menton, France - June 2018
  8. Aspuru-Guzik, “The era of variational quantum algorithms.” 2018 Conference on Computational Physics, University of California-Davis, Davis, CA 29 - July 2018
  9. Yao, "Verifying Scrambling via Quantum Teleportation", Dynamics and Dissipation in Quantum Simulation Workshop, Palo Alto CA - July 2018
  10. de Jong, "Quantum at LBNL: A platform for scientific discovery”, Argonne Quantum Computing Workshop, Chicago, IL - July 2018
  11. Aspuru-Guzik, “Quantum algorithms for chemistry” 2018 Bosonic Quantum Chemistry Workshop, Toronto, ON, Canada - August 2018
  12. Whaley, "The Landscape of Quantum Algorithms", Keynote, The Quantum Computing Summit at AI Summit San Francisco 2018 - September 2018
  13. Aspuru-Guzik, “Quantum Computing: Today and Tomorrow.” PBK Visiting Scholar Williams College, Williamstown, MA - September 2018
  14. Whaley, "Quantum Computation - the Promise and the Path", Physical Chemistry Seminar, Department of Chemistry, UC Berkeley, Berkeley, CA - September 2018
  15. O’Gorman, "Quantum computing at NASA", NASA Autonomy Workshop, Pittsburgh, PA - October 2018
  16. Whaley, "Realization of QIP with molecular qubits – challenges and how theory can help", DOE Workshop "Chemical Systems for Quantum Computing", Arlington VA - November 2018
  17. Aspuru-Guzik, “Quantum computing: The age of variational quantum algorithms.” QC Workshop-Kobe University, Kobe, Japan - Nov 2018.
  18. Whaley, "Quantum Computing for electronic structure", Q2B: Quantum for Business Conference, Mountain View, CA - December 2018
  19. Aspuru-Guzik, “Quantum Chemistry and Machine Learning”. TTD Management Data and Analytics Lab at Rotman Speaker Series - “The Frontier in Quantum Computing”, Toronto, ON, Canada - December 2018.
  20. Yao, "Entanglement, AMO & new phases of matter", POTUS2019: Quantum Entanglement Science and Technology, Los Angeles, CA - January 2019
  21. de Jong, "Advancing quantum computing as a platform for scientific discovery in chemical sciences ", RB19: RIKEN Berkeley Workshop in Quantum Information Science, Berkeley, CA - January 2019
  22. Whaley, "Continuous Quantum Error Correction for Quantum Annealing", RB19: RIKEN Berkeley Workshop in Quantum Information Science, Berkeley, CA - January 2019
  23. Whaley, "Continuous Quantum Error Correction for Quantum Annealing", SFB FoQuS International Conference, University of Innsbruck, Austria - February 2019
  24. de Jong, "Quantum computing as a platform for scientific discovery in chemical sciences", LBNL Instrument Colloquium, Berkeley, CA - February 2019
  25. Aspuru-Guzik, "Quantum Computer for Chemistry", Chemistry Students' Union hosting a seminar, University of Toronto - February 2019
  26. Lavrijsen, "Introduction to Quantum Computing", University of Tokyo, Japan - February 2019
  27. Aspuru-Guzik, "Quantum Computing for Chemistry: Status and prospects", 2019 APS March meeting DCP Focused session “Molecular Magnetism and Quantum Information”, Boston, MA - March 2019.
  28. Aspuru-Guzik, "Quantum algorithms for near-term quantum computers", Physics & Astronomy Colloquium University of Waterloo, Waterloo, ON - April 2019
  29. Aspuru-Guzik, "Quantum algorithms for near-term quantum computers", Dept. of Engineering Physics at Polytechnique Montréal, Montréal, QC - April 2019
  30. Wild, "Exploiting Structure in Derivative-Free Nonlinear Optimization to Advance Science and Engineering.", Lehigh University INFORMS Chapter Distinguished Speaker Series: Bethlehem, PA - April 2019
  31. Yao, "Three ideas for quantum simulations with Polar Molecules", ITAMP workshop, Cambridge, MA - May 2019
  32. de Jong, “How about quantum computing?”, 2019 Computing Sciences Summer Student Seminar Series, Berkeley, CA - June 2019
  33. de Jong, “Quantum Computing as a Platform for Scientific Discovery in Chemical Sciences”, Beyond Lithium Ion XVII, Denver, CO - June 2019
  34. Yao, "Emergent Hydrodynamics and Phases of Matter in Non-Equilibrium Floquet Systems", Atomic Physics Gordon Conference, Newport, RI - June 2019
  35. de Jong, “Mathematical Challenges Advancing Quantum Computing for Chemical Sciences”, Plenary talk, 19th International Conference on Computational and Mathematical Methods in Science and Engineering, (CMMSE) Costa Ballena, Cádiz, Spain - July 3 2019
  36. Yao, "Non-equilibrium phases of matter", Aspen Center for Physics Colloquium, Aspen, CO - July 2019
  37. Aspuru-Guzik, "Computo Cuántico para Química.” La Red Latinoamericana de Fisicoquímica Teórica (RedLatFQT) Webinar – September 2019
  38. de Jong, "Getting value today from NISQ-Era machines, while preparing for tomorrow’s Quantum future", Closing Keynote, Quantum.Tech, Boston, MA - September 2019
  39. Degroote, “Quantum Chemistry on Near-Term Quantum Devices”, CECAM Israel Workshop, From Quantum Computing to Quantum Chemistry: Theory, Platforms, and Practical Applications, Tel-Aviv, Israel - September 2019
  40. Larson, "Optimization for Quantum Systems". Argonne National Laboratory, Chicago, IL - September 2019
  41. Aspuru-Guzik, "Quantum algorithms for near-term quantum computers.” Keynote Speaker, Quantum Institute, Université de Sherbrooke, Sherbrooke, Canada - October 2019
  42. Degroote, “Inside the latent space of a quantum variational autoencoder”, Quantum Techniques in Machine Learning, Daejeon, South Korea - October 2019
  43. Wild, "Robust Design and Optimization for Advancing Science and Engineering." 2019 Design & Analysis of Experiments Conference (DAE19), Knoxville, TN - October 2019
  44. Aspuru-Guzik, "Advancing Molecular Sciences by Machine learning and Quantum Computing", Lectureship Award Symposium, Atlanta, GA - October 2019
  45. Lin, “Quantum linear system solver”, Applied and Computational Mathematics Seminar, UW Madison, WI - December 2019
  46. Huggins, "A Non-Orthogonal Variational Quantum Eigensolver", presented at IBM Almaden, CA - November 2019
  47. Aspuru-Guzik, “Introduction to Quantum Computing for Chemistry — A tutorial.” First International Conference on the Frontiers of Quantum Science and Technology, National Taiwan University, Taipei City, Taiwan - December 2019
  48. Aspuru-Guzik, “Variational Quantum Algorithms for Machine Learning.” First International Conference on the Frontiers of Quantum Science and Technology. National Taiwan University, Taipei City, Taiwan - December 2019
  49. Huggins, "Using as Little Quantum Computing as Possible for Quantum Chemistry", Q2B Conference, Mountain View, CA - December 2019
  50. de Jong, “Variational NISQ Algorithms for Quantum Chemistry and Simulations”, Airforce Institute of Technology, Dayton, OH - January 2020
  51. de Jong, “Quantum Computing Today and in the Future as a Platform for Scientific Discovery”, Texas Tech University, Lubbock, TX - February 2020
  52. Whaley, “Quantum Control for Quantum Algorithm Design”, 22nd Annual SQUINT Conference, Eugene, OR - February 2020
  53. de Jong, "Advancing Chemical Sciences on Near-Term Quantum Computers", QLCI Workshop at Sanibel, St. Simons Island, GA - February 2020
  54. Whaley, “Reducing Costs for Quantum Chemistry on NISQ Computers”, Simons Institute for the Theory of Computing, Workshop on Quantum Algorithms, Berkeley, CA - February 2020
  55. de Jong, “Advancing Physical Sciences on Near-Term Quantum Computers”, Quantum Computing User Forum (Virtual Conference), Oakridge, TN - April 2020
  56. Whaley, “Quantum Control and Measurement for Quantum Algorithm Design”, Quantum Computing Theory in Practice (QCTIP) 2020 (Virtual Conference), Cambridge, UK - April 2020

Contributed Talks and Posters

  1. O’Gorman, "From the Quantum Approximate Optimization Algorithm to a Quantum Alternating Operator Ansatz", Poster Session, Quantum Information Processing, Delft, Netherlands - January 2018
  2. O’Gorman, "Parallelizing O(n^k) gates in O(n^{k-1}) depth", Workshop on Quantum Computing, International Conference on Parallel Processing, Eugene, OR - August 2018
  3. O’Gorman, Huggins, Rieffel, Whaley, "Instance-independent quantum circuit embedding", Quantum Information Processing 2019, Boulder, CO - January 2019
  4. Urbanek, Lavrijsen, de Jong, "End-to-end quantum chemistry simulations with reduced errors", 2019 APS March meeting, Boston, MA - March 2019
  5. Buluc, de Jong, Iancu, Lavrijsen, Sen, Urbanek, "Algorithm-Centric Error Mitigation", 2019 APS March meeting, Boston, MA - March 2019
  6. Lavrijsen, Tudor, Larson, Sung, Linder, Mueller, McClean, Babbush, Urbanek, Iancu, de Jong, "SKQuant-Opt: Optimizers for Noisy Intermediate-Scale Quantum Devices", 2019 APS March meeting, Boston, MA - March 2019
  7. O.Gorman, "Parameterization of Tensor Network Contraction", 14th Conference on the Theory of Quantum Computation, Communication and Cryptography (TQC) 2019, College Park, MD - June 2019
  8. Degroote, “Near-term Algorithms for Quantum Machine Learning”, Conference for Quantum Information and Quantum Control VIII, Fields Institute, Toronto, Canada - August 2019
  9. Larson, "Optimization for Quantum Systems" (Poster). Chicago Quantum Exchange Member and Partner Workshop, University of Chicago, Chicago, IL - October 2019
  10. Mendoza, Degroote, Carrasquilla, Aspuru-Guzik, “Quantum autoencoder for symmetries in Hamiltonians”, Quantum Techniques in Machine Learning, Daejeon, South Korea - October 2019


  1. "Quantum Computing for Scientific Applications", SC18, Iancu, de Jong, Lougovski, Parekh, McClean, Rubin, Javadi, Venturelli
  2. "Practical Aspects of Building a Software Stack for Noisy Intermediate-Scale Quantum Devices", ASPLOS 2019, Iancu, Lavrijsen, Dalen, Javadi
  3. "Quantum Computing for Scientific Applications in the Noisy Intermediate-Scale Quantum Device Era", ISC19, Iancu, de Jong, Parekh, Sarovar, Metodi, Dumitrescu, Powers

*Author in bold is QAT4Chem PI.