Miscellaneous - yamamoto-takahiro/articles GitHub Wiki

Events

Quantum Tech https://www.quantumtechcongress.com/

第9回量子化学スクール https://ccportal.ims.ac.jp/qcs2019

Lectures / Notebooks

A Mini-Introduction To Information Theory Edward Witten https://arxiv.org/abs/1805.11965

Quantum Complexity Theory http://groups.uni-paderborn.de/fg-qi/courses/UPB_QCOMPLEXITY/2019/UPB_QCOMPLEXITY_syllabus.html

Paul Bernays Lectures

Lecture 1: The Church-Turing Thesis and Physics
Lecture 2: The Limits of Efficient Computation
Lecture 3: The Quest for Quantum Computational Supremacy https://www.scottaaronson.com/blog/?p=4301

The Matrix Cookbook https://www.math.uwaterloo.ca/~hwolkowi/matrixcookbook.pdf

Hamiltonians and the Adiabatic Algorithm https://www.scottaaronson.com/qclec/25.pdf

An Introduction to Quantum Algorithms Emma Strubell https://people.cs.umass.edu/~strubell/doc/quantum_tutorial.pdf

Computer Engineering Curricula 2016 https://www.acm.org/binaries/content/assets/education/ce2016-final-report.pdf

RVM on QC https://twitter.com/rdviii/status/1158558531789791233?s=21

Quantum Algorithms with Qiskit https://quantum-computing.ibm.com/support/guides/quantum-algorithms-with-qiskit?section=5cbaf03974a4010049e1a2a9

The Method of Second Quantization Jeppe Olsen https://link.springer.com/chapter/10.1007/978-3-642-58150-2_2

Classical simulation of quantum computation

Classical simulation of quantum computation, the Gottesman-Knill theorem, and slightly beyond M. Van den Nest https://arxiv.org/abs/0811.0898

Simulating quantum computers with probabilistic methods M. Van den Nest https://arxiv.org/abs/0911.1624

Fidelity Benchmarking

True-Q Documentation (quantum benchmarking) https://trueq.quantumbenchmark.com/index.html

Benchmarking Noise Extrapolation with OpenPulse https://arxiv.org/abs/1909.05219

(Part 1) What is the Density Matrix in Quantum Computing? https://www.youtube.com/watch?v=7SNupt7JkoA&feature=youtu.be

Statistical analysis of randomized benchmarking Robin Harper, Ian Hincks, Chris Ferrie, Steven T. Flammia, Joel J. Wallman https://arxiv.org/abs/1901.00535

Estimating the Coherence of Noise Joel J. Wallman, Christopher Granade, Robin Harper, Steven T. Flammia https://arxiv.org/abs/1503.07865

Efficient measurement of quantum gate error by interleaved randomized benchmarking Easwar Magesan, Jay M. Gambetta, B. R. Johnson, Colm A. Ryan, Jerry M. Chow, Seth T. Merkel, Marcus P. da Silva, George A. Keefe, Mary B. Rothwell, Thomas A. Ohki, Mark B. Ketchen, M. Steffen https://arxiv.org/abs/1203.4550

Noise tailoring for scalable quantum computation via randomized compiling Joel J. Wallman and Joseph Emerson https://journals.aps.org/pra/abstract/10.1103/PhysRevA.94.052325 https://arxiv.org/abs/1512.01098

Characterizing large-scale quantum computers via cycle benchmarking Alexander Erhard, Joel James Wallman, Lukas Postler, Michael Meth, Roman Stricker, Esteban Adrian Martinez, Philipp Schindler, Thomas Monz, Joseph Emerson, Rainer Blatt https://arxiv.org/abs/1902.08543

Topological codes

Quantum Computation with Topological Codes: from qubit to topological fault-tolerance Keisuke Fujii

Google HW chips

Mikhail Dyakonov, Skepticism of Quantum Computing https://www.scottaaronson.com/democritus/lec14.html

qubit calibration, pure state, mixed state, decoherence Study of Decoherence in Quantum Computers: A Circuit-Design Perspective https://arxiv.org/abs/1904.04323

Single Qubit Bootstrapping and Gate Calibration https://web.physics.ucsb.edu/~martinisgroup/theses/Kelly2010.pdf

Rabi oscillation, Ramsey fringes, bootstrapping Rabi oscillations, Ramsey fringes and spin echoes in an electrical circuit https://arxiv.org/abs/cond-mat/0209315

Quantum Computing Thaddeus D. Ladd, Fedor Jelezko, Raymond Laflamme, Yasunobu Nakamura, Christopher Monroe, Jeremy L. O'Brien https://arxiv.org/abs/1009.2267

Superconducting Qubits: Current State of Play Morten Kjaergaard, Mollie E. Schwartz, Jochen Braumüller, Philip Krantz, Joel I-Jan Wang, Simon Gustavsson, William D. Oliver https://arxiv.org/abs/1905.13641

Quantum Computational Supremacy

Quantum supremacy using a programmable superconducting processor https://www.nature.com/articles/s41586-019-1666-5

Supplementary information https://static-content.springer.com/esm/art%3A10.1038%2Fs41586-019-1666-5/MediaObjects/41586_2019_1666_MOESM1_ESM.pdf https://arxiv.org/abs/1910.11333

Quantum supremacy using a programmable superconducting processor - J. Martinis - 11/1/2019 https://www.youtube.com/watch?v=FklMpRiTeTA&feature=youtu.be

Characterizing Quantum Supremacy in Near-Term Devices https://arxiv.org/abs/1608.00263

Establishing the Quantum Supremacy Frontier with a 281 Pflop/s Simulation https://arxiv.org/abs/1905.00444

Google 論文について http://tomoyukimorimae.web.fc2.com/Googlepaper.pdf

Sampling of globally depolarized random quantum circuit Tomoyuki Morimae, Yuki Takeuchi, Seiichiro Tani https://arxiv.org/abs/1911.02220

Quantum Linear System

Quantum linear systems algorithms: a primer Danial Dervovic, Mark Herbster, Peter Mountney, Simone Severini, Naïri Usher, Leonard Wossnig https://arxiv.org/abs/1802.08227

Quantum Algorithms for Hamiltonian Simulation Dominic W. Berry, Graeme Ahokas, Richard Cleve, and Barry, C. Sanders https://www.iqst.ca/people/home/bsanders/BACSChapter4.pdf

Variational Quantum Linear Solver: A Hybrid Algorithm for Linear Systems Carlos Bravo-Prieto, Ryan LaRose, M. Cerezo, Yigit Subasi, Lukasz Cincio, Patrick J. Coles

We propose a cost function based on the overlap between |b> and A|x>, and we derive an operational meaning for this cost in terms of the solution precision. We also introduce a quantum circuit to estimate this cost, while showing that this cost cannot be efficiently estimated classically. Using Rigetti's quantum computer, we successfully implement our algorithm up to a problem size of 32x32.

https://arxiv.org/abs/1909.05820

Variational Quantum Linear Solver Author: Andrea Mari https://pennylane.ai/qml/app/tutorial_vqls.html

Architectures for a quantum random access memory Vittorio Giovannetti, Seth Lloyd, Lorenzo Maccone https://arxiv.org/abs/0807.4994

Simulating Hamiltonian dynamics on a quantum computer Andrew Childs https://www.cs.umd.edu/~amchilds/talks/hamiltonian.pdf

Efficient quantum algorithms for simulating sparse Hamiltonians Dominic W. Berry, Graeme Ahokas, Richard Cleve, Barry C. Sanders https://arxiv.org/abs/quant-ph/0508139

Universal Quantum Simulators Author(s): Seth Lloyd http://citeseerx.ist.psu.edu/viewdoc/download?doi=10.1.1.654.7909&rep=rep1&type=pdf

Hamiltonian Simulation Using Linear Combinations of Unitary Operations Andrew M. Childs, Nathan Wiebe https://arxiv.org/abs/1202.5822

The density-matrix renormalization group in the age of matrix product states Ulrich Schollwoeck https://arxiv.org/abs/1008.3477

Lechner-Hauke-Zoller

Stabilizers as a design tool for new forms of the Lechner-Hauke-Zoller annealer https://advances.sciencemag.org/content/advances/2/10/e1601246.full.pdf

A quantum annealing architecture with all-to-all connectivity from local interactions https://advances.sciencemag.org/content/1/9/e1500838

LHZQAOA https://github.com/WolfgangLechner/LHZQAOA/blob/master/README.md

Articles

The Man Who Will Build Google's Elusive Quantum Computer https://www.wired.com/2014/09/martinis/

IBM shows Qiskit can target multiple quantum systems https://devclass.com/2019/11/06/ibm-shows-qiskit-can-target-multiple-quantum-systems/

Quantum battery could get a boost from entanglement https://physicsworld.com/a/quantum-battery-could-get-a-boost-from-entanglement/

Closing In on Quantum Error Correction https://cacm.acm.org/magazines/2019/10/239668-closing-in-on-quantum-error-correction/fulltext

The key to more powerful quantum computers could be to build them like Legos https://www.technologyreview.com/s/614305/the-key-to-bigger-quantum-computers-could-be-to-build-them-like-legos/?utm_medium=tr_social&utm_campaign=site_visitor.unpaid.engagement&utm_source=Twitter#Echobox=1568645434

Quantum computers by AQT and University of Innsbruck leverage Cirq for quantum algorithm development https://nachrichten.idw-online.de/2019/09/16/quantum-computers-by-aqt-and-university-of-innsbruck-leverage-cirq-for-quantum-algorithm-development/

New Proof Solves 80-Year-Old Irrational Number Problem https://www.scientificamerican.com/article/new-proof-solves-80-year-old-irrational-number-problem/?utm_medium=social&utm_content=organic&utm_source=twitter&utm_campaign=SciAm_&sf219487478=1

Amplitude Estimation without Quantum Fourier Transform and Controlled Grover Operators https://github.com/Qiskit/qiskit-community-tutorials/blob/master/algorithms/SimpleIntegral_AEwoPE.ipynb

Keep quantum computing global and open https://www.nature.com/articles/d41586-019-02675-5?utm_source=twitter&utm_medium=social&utm_content=organic&utm_campaign=NGMT_2_JNC_Nature

Quantum radar has been demonstrated for the first time https://www.technologyreview.com/s/614160/quantum-radar-has-been-demonstrated-for-the-first-time/?utm_medium=tr_social&utm_campaign=site_visitor.unpaid.engagement&utm_source=Twitter#Echobox=1567609011

A super-secure quantum internet just took another step closer to reality https://www.technologyreview.com/f/614209/a-super-secure-quantum-internet-just-took-another-step-closer-to-reality/?utm_medium=tr_social&utm_campaign=site_visitor.unpaid.engagement&utm_source=Twitter#Echobox=1566481515

Viewpoint: A Random Approach to Quantum Simulation https://physics.aps.org/articles/v12/91

Random Compiler for Fast Hamiltonian Simulation https://journals.aps.org/prl/abstract/10.1103/PhysRevLett.123.070503

Chemists make first-ever ring of pure carbon https://www.nature.com/articles/d41586-019-02473-z?utm_source=dlvr.it&utm_medium=twitter

Scientists Learn the Ropes on Tying Molecular Knots https://www.quantamagazine.org/scientists-learn-the-ropes-on-tying-molecular-knots-20181029

Who’s afraid of Majorana qubits? https://blog.qutech.nl/index.php/2019/04/28/whos-afraid-of-majorana-qubits/?fbclid=IwAR1RywzxAtToIEDiaJ0O7XX9yVEofFmMNRZvmQePwTDkogaxgYh-EjKpfjo

Scientists unveil the first-ever image of quantum entanglement https://phys.org/news/2019-07-scientists-unveil-first-ever-image-quantum.html

What happens when you explode a chemical bond? https://phys.org/news/2019-07-chemical-bond.html

Industry adopts quantum computing, qubit by qubit https://www.chemistryworld.com/news/industry-adopts-quantum-computing-qubit-by-qubit-/3010591.article

量子コンピュータを用いた変分アルゴリズムと機械学習 https://www.jps.or.jp/books/gakkaishi/2019/09/74-09seriesAIphys1.pdf

虚振動とは？遷移状態とは？ https://computational-chemistry.com/top/blog/2016/01/11/transition-state/

Raman Spectroscopy Basics http://web.pdx.edu/~larosaa/Applied_Optics_464-564/Projects_Optics/Raman_Spectrocopy/Raman_Spectroscopy_Basics_PRINCETON-INSTRUMENTS.pdf

Papers

Randomized Benchmarking for Individual Quantum Gates https://journals.aps.org/prl/abstract/10.1103/PhysRevLett.123.060501

Faster quantum simulation by randomization https://quantum-journal.org/papers/q-2019-09-02-182/

Clifford recompilation for faster classical simulation of quantum circuits https://quantum-journal.org/papers/q-2019-08-05-170/

Benchmarking Noise Extrapolation with OpenPulse https://arxiv.org/abs/1909.05219

Symmetry Configuration Mapping for Compact Representation of Quantum Chemistry on Quantum Computers https://arxiv.org/abs/1907.01493

Oracle complexity classes and local measurements on physical Hamiltonians https://arxiv.org/abs/1909.05981

A Quantum Approximate Optimization Algorithm for continuous problems https://arxiv.org/abs/1902.00409

Alibaba Cloud Quantum Development Platform: Applications to Quantum Algorithm Design https://arxiv.org/abs/1909.02559

Effects of Quantum Noise on Quantum Approximate Optimization Algorithm https://arxiv.org/abs/1909.02196

O(N3) Measurement Cost for Variational Quantum Eigensolver on Molecular Hamiltonians Pranav Gokhale, Frederic T. Chong https://arxiv.org/abs/1908.11857

Quantum Algorithm for Calculating Molecular Vibronic Spectra https://pubs.acs.org/doi/pdf/10.1021/acs.jpclett.9b01117?rand=gbydi2i3

Variational Quantum Gate Optimization https://arxiv.org/abs/1810.12745

Noise Resilience of Variational Quantum Compiling https://arxiv.org/abs/1908.04416

Complete Basis Set Extrapolation of Electronic Correlation Energies Using the Riemann Zeta Function https://pubs.acs.org/doi/10.1021/acs.jctc.9b00705

A theory of quantum gravity based on quantum computation Seth Lloyd https://arxiv.org/abs/quant-ph/0501135

Holographic quantum error-correcting codes: Toy models for the bulk/boundary correspondence https://arxiv.org/abs/1503.06237

A fault-tolerant non-Clifford gate for the surface code in two dimensions https://arxiv.org/abs/1903.11634

Quantum error correction for the toric code using deep reinforcement learning https://quantum-journal.org/papers/q-2019-09-02-183/

Fault-tolerant thresholds for the surface code in excess of 5% under biased noise https://arxiv.org/abs/1907.02554

Nonadaptive fault-tolerant verification of quantum supremacy with noise https://quantum-journal.org/papers/q-2019-07-12-164/

Continuous symmetries and approximate quantum error correction https://scirate.com/arxiv/1902.07714

The Clifford group forms a unitary 3-design https://arxiv.org/abs/1510.02769

Simulation of quantum circuits by low-rank stabilizer decompositions https://quantum-journal.org/papers/q-2019-09-02-181/

Universal logical gates with constant overhead: instantaneous Dehn twists for hyperbolic quantum codes https://quantum-journal.org/papers/q-2019-08-26-180/

Hamiltonian Simulation by Qubitization https://quantum-journal.org/papers/q-2019-07-12-163/

Quantum speedup of branch-and-bound algorithms https://arxiv.org/abs/1906.10375

P27.00013 : Unitary designs for continuous variable systems http://meetings.aps.org/Meeting/MAR19/Session/P27.13

Full-Stack, Real-System Quantum Computer Studies: Architectural Comparisons and Design Insights https://arxiv.org/abs/1905.11349

Short-depth trial-wavefunctions for the variational quantum eigensolver based on the problem Hamiltonian https://arxiv.org/abs/1908.09533

Full Quantum Eigensolver for Quantum Chemistry Simulations https://arxiv.org/abs/1908.07927

Enhancing quantum control by improving shape pulse generation https://arxiv.org/abs/1908.08003

Parity-Time Symmetry in Hartree–Fock Theory https://pubs.acs.org/doi/10.1021/acs.jctc.9b00289

An sp-hybridized molecular carbon allotrope, cyclo[18]carbon https://arxiv.org/abs/1908.05904

Variational Quantum Fidelity Estimation https://arxiv.org/abs/1906.09253

Variational algorithms for linear algebra https://arxiv.org/abs/1909.03898

The computational landscape of general physical theories Jo https://www.nature.com/articles/s41534-019-0156-9.pdf

Open-Shell and Antiaromatic Character Induced by the Highly Symmetric Geometry of the Planar Heptalene Structure: Synthesis and Characterization of a Nonalternant Isomer of Bisanthene https://pubs.acs.org/doi/10.1021/jacs.9b04080

Supervised learning with quantum enhanced feature spaces https://arxiv.org/abs/1804.11326

Decomposing Quantum Generalized Toffoli with an Arbitrary Number of Ancilla https://arxiv.org/abs/1904.01671

Hybrid Quantum/Classical Derivative Theory: Analytical Gradients and Excited-State Dynamics for the Multistate Contracted Variational Quantum Eigensolver https://arxiv.org/abs/1906.08728

Molecular helium ion measurements find discrepancy between experiment and theory https://aip.scitation.org/doi/10.1063/1.5066429#.XSoELcOci9g.twitter

Quantum Algorithms for Solving Dynamic Programming Problems https://arxiv.org/abs/1906.02229

Simulation methods for open quantum many-body systems https://arxiv.org/abs/1907.07079?fbclid=IwAR1wvSffZjIcRsyPYYhXSJLXC_8gb2FBi79j9WCL5mv_UHsKZsbcwh3nyIs

The Grover search as a naturally occurring phenomenon https://arxiv.org/abs/1908.11213

Computational Chemistry on Quantum Computers https://arxiv.org/abs/1909.11146

Quantum Filter Diagonalization: Quantum Eigendecomposition without Full Quantum Phase Estimation

(QFD) that lies somewhere between the variational quantum eigensolver (VQE) and the phase estimation algorithm (PEA) in terms of required quantum circuit resources and conceptual simplicity. 
 QFD uses a set of of time-propagated guess states as a variational basis for approximate diagonalization of a sparse Pauli Hamiltonian

https://arxiv.org/abs/1909.08925

A Multireference Quantum Krylov Algorithm for Strongly Correlated Electrons Nicholas H. Stair, Renke Huang, Francesco A. Evangelista

MRSQK is a low-cost alternative to the quantum phase estimation algorithm that generates a target state as a linear combination of non-orthogonal Krylov basis states. This basis is constructed from a set of reference states via real-time evolution avoiding the numerical optimization of parameters.

https://arxiv.org/abs/1911.05163

A Non-Orthogonal Variational Quantum Eigensolver https://arxiv.org/abs/1909.09114

Excited States via Coupled Cluster Theory without Equation-of-Motion Methods: Seeking Higher Roots with Application to Doubly Excited States and Double Core Hole States https://arxiv.org/abs/1909.10096

Partial Compilation of Variational Algorithms for Noisy Intermediate-Scale Quantum Machines https://scirate.com/arxiv/1909.07522

Quantum simulations of excited states with active-space downfolded Hamiltonians https://arxiv.org/abs/1909.06404

Reducing qubit requirements for quantum simulation using molecular point group symmetries Kanav Setia, Richard Chen, Julia E. Rice, Antonio Mezzacapo, Marco Pistoia, James Whitfield https://arxiv.org/abs/1910.14644

In this work, we develop a formalism to reduce the number of qubits required for simulating molecules using spatial symmetries, by finding qubit representations of irreducible symmetry sectors. We present our results for various molecules and elucidate a formal connection of this work with a previous technique that analyzed generic Z2 Pauli symmetries.

Robust universal Hamiltonian quantum computing using two-body interactions Milad Marvian, Seth Lloyd

noise resilient universal adiabatic quantum computation using two-body interactions

Random Compiler for Fast Hamiltonian Simulation Earl Campbell https://journals.aps.org/prl/abstract/10.1103/PhysRevLett.123.070503

 Therefore, it is especially suited to electronic structure Hamiltonians relevant to quantum chemistry

A Jastrow-type decomposition in quantum chemistry for low-depth quantum circuits https://arxiv.org/abs/1909.12410

4.3.2 Form of Jastrow factor https://web.ornl.gov/~kentpr/thesis/pkthnode26.html

Highly Efficient and Scalable Compound Decomposition of Two-Electron Integral Tensor and Its Application in Coupled Cluster Calculations. https://www.ncbi.nlm.nih.gov/pubmed/28834428

On the Bass-Quillen Conjecture https://arxiv.org/abs/1810.00617

Quantum simulation of chemistry with sublinear scaling in basis size Ryan Babbush, Dominic W. Berry, Jarrod R. McClean and Hartmut Neven https://www.nature.com/articles/s41534-019-0199-y

number of plane wave orbitals
scaling in first quantization

Discontinuous Galerkin discretization for quantum simulation of chemistry https://scirate.com/arxiv/1909.00028

Calculation of excited states via symmetry constraints in the Variational Quantum Eigensolver Gabriel Greene-Diniz, David Muñoz Ramo https://arxiv.org/abs/1910.05168

Experimental realization of Shor's quantum factoring algorithm using nuclear magnetic resonance https://www.nature.com/articles/414883a

Preparing High Purity Initial States for Nuclear Magnetic Resonance Quantum Computing https://journals.aps.org/prl/abstract/10.1103/PhysRevLett.93.040501

Canonical form of the Hartree-Fock orbitals in open-shell systems https://aip.scitation.org/doi/10.1063/1.4849615

Koopmans’ theorem in the ROHF method: Canonical form for the Hartree-Fock Hamiltonian https://aip.scitation.org/doi/10.1063/1.2393223

Oracle complexity classes and local measurements on physical Hamiltonians https://arxiv.org/abs/1909.05981

Efficient Simulation of Charged Systems Using Variational Quantum Eigensolver https://www.researchgate.net/publication/335679562_Efficient_Simulation_of_Charged_Systems_Using_Variational_Quantum_Eigensolver

Near-term quantum algorithms for linear systems of equations https://arxiv.org/abs/1909.07344

Scalable approximation of Green's function for estimation of anharmonic energy corrections https://arxiv.org/abs/1909.06456

Quantum simulation of molecular vibronic spectra on a superconducting bosonic processor https://arxiv.org/abs/1908.03598

Efficient and Noise Resilient Measurements for Quantum Chemistry on Near-Term Quantum Computers https://arxiv.org/abs/1907.13117

High-fidelity measurement of qubits encoded in multilevel superconducting circuits https://arxiv.org/abs/1908.01869

Experimental data from a quantum computer verifies the generalized Pauli exclusion principle https://www.nature.com/articles/s42005-019-0110-3

Development and Implementation of Excited-State Gradients for Local Hybrid Functionals https://pubs.acs.org/doi/10.1021/acs.jctc.9b00659

Calculation of Molecular Vibrational Spectra on a Quantum Annealer https://pubs.acs.org/doi/10.1021/acs.jctc.9b00402

Accuracy and Resource Estimations for Quantum Chemistry on a Near-Term Quantum Computer https://pubs.acs.org/doi/10.1021/acs.jctc.9b00236%E2%80%AC

An adaptive variational algorithm for exact molecular simulations on a quantum computer https://www.nature.com/articles/s41467-019-10988-2

Supplementary Information for: An adaptive variational algorithm for exact molecular simulations on a quantum computer Grimsley et al. https://static-content.springer.com/esm/art%3A10.1038%2Fs41467-019-10988-2/MediaObjects/41467_2019_10988_MOESM1_ESM.pdf

Evaluating two-electron-repulsion integrals over arbitrary orbitals using zero variance Monte Carlo: Application to full configuration interaction calculations with Slater-type orbitals https://aip.scitation.org/doi/10.1063/1.5114703

Challenges and Opportunities of Near-Term Quantum Computing Systems A. D. Corcoles, A. Kandala, A. Javadi-Abhari, D. T. McClure, A. W. Cross, K. Temme, P. D. Nation, M. Steffen, J. M. Gambetta https://arxiv.org/abs/1910.02894

The minimum parameterization of the wave function for the many-body electronic Schrödinger equation. I. Theory and ansatz Lasse Kragh Sørensen

It is shown that the exponential scaling with the number of particles plaguing all other correlation methods stems from the expansion of the wave function in one-particle basis sets. It is demonstrated that using a geminal basis, which fulfill a Lie algebra, the parametrization of the exact wave function becomes independent of the number of particles and only scale quadratic with the number of basis functions in the optimized basis. The result- ing antisymmetrized geminal power wave function is shown to fulfill the necessary and sufficient conditions for the exact wavefunction, treat all electrons and electron pairs equally, be invariant to all orbital rotations and virtual-virtual and occupied-occupied geminal rotations, be the most compact representation of the exact wave function possible and contain exactly the same amount of information as the two-particle reduced density matrix.

https://arxiv.org/abs/1910.06633

Why quantum chemistry is hard Scott Aaronson

DFT and simulation on quantum computer https://www.nature.com/articles/nphys1415?draft=marketing&proof=true

Computational complexity of interacting electrons and fundamental limitations of density functional theory Norbert Schuch & Frank Verstraete

Here, we show that the field of computational complexity imposes fundamental limitations on density functional theory. In particular, if the associated ‘universal functional’ could be found efficiently, this would imply that any problem in the computational complexity class Quantum Merlin Arthur could be solved efficiently. 
... 
This work illustrates how the field of quantum computing could be useful even if quantum computers were never built.

https://www.nature.com/articles/nphys1370?draft=marketing&proof=true https://arxiv.org/abs/0712.0483

Toward a Quantum-Chemical Benchmark Set for Enzymatically Catalyzed Reactions: Important Steps and Insights https://pubs.acs.org/doi/10.1021/acs.jpca.9b05088

SU(2) non-Abelian gauge field theory in one dimension on digital quantum computers https://arxiv.org/abs/1908.06935

Accelerating lattice quantum field theory calculations via interpolator optimization using NISQ-era quantum computing https://arxiv.org/abs/1908.04194

An analysis of the performance of coupled cluster methods for core excitations and core ionizations using standard basis sets https://arxiv.org/abs/1908.03635

Generative Models for Automatic Chemical Design https://arxiv.org/abs/1907.01632

Creating superpositions that correspond to efficiently integrable probability distributions Lov Grover, Terry Rudolph https://arxiv.org/abs/quant-ph/0208112

Optimizing quantum heuristics with meta-learning https://arxiv.org/abs/1908.03185

Alibaba Cloud Quantum Development Platform: Applications to Quantum Algorithm Design https://arxiv.org/abs/1909.02559

A graphical symmetric group approach for a spin adapted full configuration interaction: partitioning of a configuration graph into sets of closed-shell and open-shell graphs https://link.springer.com/article/10.1007/s00214-006-0171-8

Quantum Natural Gradient https://arxiv.org/abs/1909.02108

Training the Quantum Approximate Optimization Algorithm without access to a Quantum Processing Unit https://arxiv.org/abs/1908.08862

Witnessing eigenstates for quantum simulation of Hamiltonian spectra https://advances.sciencemag.org/content/advances/4/1/eaap9646.full.pdf

Ground-state energy estimation of the water molecule on a trapped ion quantum computer https://arxiv.org/abs/1902.10171

Discontinuous Galerkin discretization for quantum simulation of chemistry https://arxiv.org/abs/1909.00028

Solutions of the multiconfiguration Dirac-Fock equations https://arxiv.org/abs/1305.3739

Excited states from modified coupled cluster methods: are they any better than EOM CCSD? https://aip.scitation.org/doi/am-pdf/10.1063/1.4979078?class=chorus+

Digital quantum simulation of molecular vibrations https://pubs.rsc.org/en/content/articlepdf/2019/sc/c9sc01313j

Notes on Landauer’s principle, reversible computation, and Maxwell’s Demon http://citeseerx.ist.psu.edu/viewdoc/download?doi=10.1.1.205.5634&rep=rep1&type=pdf

Comparing the Overhead of Topological and Concatenated Quantum Error Correction https://arxiv.org/abs/1312.2316

Maintaining coherence in Quantum Computers. https://arxiv.org/abs/hep-th/9406058

Minimizing State Preparations in Variational Quantum Eigensolver by Partitioning into Commuting Families https://arxiv.org/abs/1907.13623

Efficient and Noise Resilient Measurements for Quantum Chemistry on Near-Term Quantum Computers https://arxiv.org/abs/1907.13117

Feynman’s clock, a new variational principle, and parallel-in-time quantum dynamics https://www.pnas.org/content/110/41/E3901 https://www.pnas.org/content/pnas/110/41/E3901.full.pdf

On the Dirac–Frenkel/McLachlan variational principle https://www.sciencedirect.com/science/article/abs/pii/S0009261400002001 http://citeseerx.ist.psu.edu/viewdoc/download?doi=10.1.1.526.9910&rep=rep1&type=pdf

Excitation energies, singlet–triplet energy gaps, spin–orbit matrix elements and heavy atom effects in BOIMPYs as possible photosensitizers for photodynamic therapy: a computational investigation https://pubs.rsc.org/en/content/articlelanding/2018/cp/c7cp06763a#!divAbstract

Collective optimization for variational quantum eigensolvers Dan-Bo Zhang, Tao Yin https://arxiv.org/abs/1910.14030

Universal Variational Quantum Computation Jacob Biamonte https://arxiv.org/abs/1903.04500

Resource Estimation for Quantum Variational Simulations of the Hubbard Model: The Advantage of Multi-core NISQ Processing Zhenyu Cai https://arxiv.org/abs/1910.02719

Quasi-probabilities in conditioned quantum measurement and a geometric/statistical interpretation of Aharonov’s weak value https://academic.oup.com/ptep/article/2017/5/052A01/3798716

Elucidating reaction mechanisms on quantum computers https://www.pnas.org/content/114/29/7555

A Precise Error Bound for Quantum Phase Estimation James M. Chappell ,Max A. Lohe,Lorenz von Smekal,Azhar Iqbal,Derek Abbott https://journals.plos.org/plosone/article?id=10.1371/journal.pone.0019663

Quantum phase estimation of multiple eigenvalues Recent citations for small-scale (noisy) experiments https://iopscience.iop.org/article/10.1088/1367-2630/aafb8e/pdf

Qubit coupled-cluster method: A systematic approach to quantum chemistry on a quantum computer https://arxiv.org/abs/1809.03827

Accounting for errors in quantum algorithms via individual error reduction https://www.nature.com/articles/s41534-019-0125-3.pdf

Brueckner based generalized coupled cluster theory: Implicit inclusion of higher excitation effects https://aip.scitation.org/doi/10.1063/1.1288912

N-electron valence state perturbation theory: a fast implementation of the strongly contracted variant https://www.sciencedirect.com/science/article/abs/pii/S0009261401013033

The SWAP test and the Hong-Ou-Mandel effect are equivalent https://arxiv.org/abs/1303.6814

derivation of destructive SWAP test, appeared in Higgot's paper

Approximate Quantum Fourier Transform with O(nlog(n)) T gates Yunseong Nam, Yuan Su, Dmitri Maslov https://arxiv.org/abs/1803.04933

IonQ publications https://ionq.com/resources

Classical algorithms for quantum mean values Sergey Bravyi, David Gosset, Ramis Movassagh

the mean value problem admit
constant-depth quantum circuits https://arxiv.org/abs/1909.11485

High Performance Emulation of Quantum Circuits Thomas Häner, Damian S. Steiger, Mikhail Smelyanskiy, Matthias Troyer https://arxiv.org/abs/1604.06460

Psi-Epistemic Theories: The Role of Symmetry Scott Aaronson, Adam Bouland, Lynn Chua, George Lowther

no-go theorem https://arxiv.org/abs/1303.2834

Quantum information processing with trapped ions

Mølmer-Sørenson gate https://qudev.phys.ethz.ch/static/content/courses/QSIT09/QSIT09_V10_slides.pdf

QAOA

QAOA for Max-Cut requires hundreds of qubits for quantum speed-up G. G. Guerreschi & A. Y. Matsuura https://www.nature.com/articles/s41598-019-43176-9

Quantum Supremacy through the Quantum Approximate Optimization Algorithm Edward Farhi, Aram W Harrow

Here we argue that beyond its possible computational value the QAOA can exhibit a form
of “Quantum Supremacy” in that, based on reasonable complexity theoretic assumptions, the
output distribution of even the lowest depth version cannot be efficiently simulated on any
classical device

https://arxiv.org/abs/1602.07674

The Quantum Approximate Optimization Algorithm and the Sherrington-Kirkpatrick Model at Infinite Size Edward Farhi, Jeffrey Goldstone, Sam Gutmann, Leo Zhou

 As an algorithm running on a quantum computer, there is no need to search for optimal parameters on an instance-by-instance basis since we can determine them in advance. What we have here is a new framework for analyzing the QAOA, and our techniques can be of broad interest for evaluating its performance on more general problems.

https://arxiv.org/abs/1910.08187

Quantum game

A generalization of CHSH and the algebraic structure of optimal strategies David Cui, Arthur Mehta, Hamoon Mousavi, Seyed Sajjad Nezhadi https://arxiv.org/abs/1911.01593

Adaptive Quantum Computation, Constant Depth Quantum Circuits and Arthur-Merlin Games Barbara M. Terhal, David P. DiVincenzo https://arxiv.org/abs/quant-ph/0205133

OpenQASM / OpenPulse

Qiskit Backend Specifications for OpenQASM and OpenPulse Experiments https://arxiv.org/abs/1809.03452

Hotelling's deflation method

Deflation Methods for Sparse PCA https://pdfs.semanticscholar.org/9335/343c63058494c63bccd27af8c1dc77dfd9af.pdf

Computation of matrix eigenvalues and eigenvectors http://www.robots.ox.ac.uk/~sjrob/Teaching/EngComp/ecl4.pdf

Optimization

2.7. Mathematical optimization: finding minima of functions http://scipy-lectures.org/advanced/mathematical_optimization/

Jacobian and Hessian inputs in scipy.optimize.minimize https://stackoverflow.com/questions/41137092/jacobian-and-hessian-inputs-in-scipy-optimize-minimize https://docs.scipy.org/doc/scipy/reference/generated/scipy.optimize.HessianUpdateStrategy.html

Newton’s Method http://www.stat.cmu.edu/~ryantibs/convexopt-F15/lectures/14-newton.pdf

[Chapter 11] Optimization and Newton’s method https://www.softcover.io/read/bf34ea25/math_for_finance/multivariable_methods

Quasi Newton Methods http://www.stat.cmu.edu/~ryantibs/convexopt-F13/lectures/11-QuasiNewton.pdf

Quasi-Newton methods http://www.seas.ucla.edu/~vandenbe/236C/lectures/qnewton.pdf

Quasi-Newton (BFGS, L-BFGS) https://climin.readthedocs.io/en/latest/bfgs.html

scipy.optimize.newton https://docs.scipy.org/doc/scipy/reference/generated/scipy.optimize.newton.html

Python tips

A Python Import Tutorial for Beginners https://www.codementor.io/sheena/python-path-virtualenv-import-for-beginners-du107r3o1

Benefits of using Azure API Management with microservices https://azure.microsoft.com/en-au/blog/benefits-of-using-azure-api-management-with-microservices/

What does the np.random.binomial function return? https://discuss.codecademy.com/t/what-does-the-np-random-binomial-function-return/361162

Does the zip function work with lists of different lengths? https://discuss.codecademy.com/t/does-the-zip-function-work-with-lists-of-different-lengths/351451

How to make a flat list out of list of lists https://stackoverflow.com/questions/952914/how-to-make-a-flat-list-out-of-list-of-lists

Private Variables in Python https://www.geeksforgeeks.org/private-variables-python/

Underscore (_) in Python https://www.geeksforgeeks.org/underscore-_-python/

Generated Include Guards: An Alternative to pragma once https://hackernoon.com/generated-include-guards-an-alternative-to-pragma-once-31cc3dee6ce

c++ uint , unsigned int , int https://stackoverflow.com/questions/3552094/c-uint-unsigned-int-int

The Structure and Properties of Water https://courses.lumenlearning.com/introchem/chapter/the-structure-and-properties-of-water/

Spectroscopy of spinons in Coulomb quantum spin liquids https://arxiv.org/abs/1906.01628

boost (C++ libraries) https://www.boost.org/

Insertion Sort https://www.geeksforgeeks.org/insertion-sort/

The Jacobi-Davidson Method http://people.inf.ethz.ch/arbenz/ewp/Lnotes/chapter12.pdf

The Davidson Algorithm for Eigenvalue Problems http://sirius.chem.vt.edu/wiki/doku.php?id=crawdad:programming:project13

Exact and approximate synthesis of quantum circuits https://www.mathstat.dal.ca/~selinger/newsynth/

SWAP-RZ gate https://github.com/Qiskit/qiskit-aqua/blob/master/qiskit/aqua/components/variational_forms/swaprz.py

Toward quantum superposition of living organisms https://iopscience.iop.org/article/10.1088/1367-2630/12/3/033015/pdf

A New Spin on the Quantum Brain https://www.quantamagazine.org/a-new-spin-on-the-quantum-brain-20161102/

A Super-Simple, Non-Quantum Theory of Eternal Consciousness https://blogs.scientificamerican.com/cross-check/a-super-simple-non-quantum-theory-of-eternal-consciousness/

Quantum advantage with shallow circuits https://arxiv.org/abs/1704.00690

Chemistry

6.3: Electron Repulsion and Bond Angles. Orbital Hybridization https://chem.libretexts.org/Bookshelves/Organic_Chemistry/Book%3A_Basic_Principles_of_Organic_Chemistry_(Roberts_and_Caserio)/06._Bonding_in_Organic_Molecules._Atomic-Orbital_Models/6.3%3A_Electron_Repulsion_and_Bond_Angles._Orbital_Hybridization

14.7: Fluorescence and Phosphorescence https://chem.libretexts.org/Bookshelves/Physical_and_Theoretical_Chemistry_Textbook_Maps/Map%3A_Physical_Chemistry_for_the_Biosciences_(Chang)/14%3A_Spectroscopy/14.7%3A_Fluorescence_and_Phosphorescence

18.3: The Unrestricted Hartree-Fock Spin Impurity Problem https://chem.libretexts.org/Bookshelves/Physical_and_Theoretical_Chemistry_Textbook_Maps/Book%3A_Quantum_Mechanics__in_Chemistry_(Simons_and_Nichols)/18%3A_Multiconfiguration_Wavefunctions/18.3%3A_The_Unrestricted_Hartree-Fock_Spin_Impurity_Problem

5.4: Adiabatic and Nonadiabatic Dynamics https://chem.libretexts.org/Bookshelves/Physical_and_Theoretical_Chemistry_Textbook_Maps/Book%3A_Time_Dependent_Quantum_Mechanics_and_Spectroscopy_(Tokmakoff)/5%3A_Adiabatic_Approximation/5.4%3A_Adiabatic_and_Nonadiabatic_Dynamics

Hartree–Fock and Kohn–Sham theories for large molecular systems http://folk.uio.no/helgaker/talks/kyoto.pdf

Ab Initio Nonadiabatic Quantum Molecular Dynamics https://pubs.acs.org/doi/10.1021/acs.chemrev.7b00423

Atomistic non-adiabatic dynamics of the LH2 complex with a GPU-accelerated ab initio exciton model http://www.bris.ac.uk/chemistry/people/fred-r-manby/pub/107707714

Coupled-cluster methods with internal and semi-internal triply excited clusters: Vibrational spectrum of the HF molecule https://aip.scitation.org/doi/10.1063/1.479968

Relativistic Real-Time Time-Dependent Equation-of-Motion Coupled-Cluster https://pubs.acs.org/doi/abs/10.1021/acs.jctc.9b00729

非経験的密度行列繰り込み群に基づく多参照電子状態理論 Ab initio Density Matrix Renormalization Group Theory for Multireference Quantum Chemistry https://www.jstage.jst.go.jp/article/molsci/8/1/8_A0069/_pdf/-char/ja

THE EXCITON MODEL IN MOLECULAR SPECTROSCOPY M. KASHA, H. R. RAWLS and M. ASHRAF EL-BAYOUM http://citeseerx.ist.psu.edu/viewdoc/download?doi=10.1.1.543.6218&rep=rep1&type=pdf

The Directed Heavy Atom Effect: A Design Principle for Metal-Free Organic Phosphors https://deepblue.lib.umich.edu/bitstream/handle/2027.42/76004/obolton_1.pdf;sequence=1

Programming Project #12: Excited Electronic States: CIS and TDHF/RPA http://sirius.chem.vt.edu/wiki/doku.php?id=crawdad:programming:project12

Department of Energy Announces $37 Million for Materials and Chemistry Research in Quantum Information Science https://science.osti.gov/-/media/bes/pdf/Funding/BES_QIS_Awards_FY2019.pdf

Ab-Initio Molecular Dynamics Thomas D. Kühne https://arxiv.org/abs/1201.5945

What’s New in Qiskit 0.12 https://medium.com/qiskit/whats-new-in-qiskit-0-12-8af80fe42bf7

Todd Martinez https://chemistry.stanford.edu/people/todd-martinez

Oracle

Almost All Quantum Oracles Are Impossible to Realize in Practice(V.2) http://www.ar-tiste.com/imp-oracles/imps2.pdf

How is the oracle in Grover's search algorithm implemented? https://quantumcomputing.stackexchange.com/questions/175/how-is-the-oracle-in-grovers-search-algorithm-implemented

How would I implement the quantum oracle in Deutsch's algorithm? https://quantumcomputing.stackexchange.com/questions/4576/how-would-i-implement-the-quantum-oracle-in-deutschs-algorithm

How to implement the “Square root of Swap gate” on the IBM Q (composer)? https://quantumcomputing.stackexchange.com/questions/2228/how-to-implement-the-square-root-of-swap-gate-on-the-ibm-q-composer

Elementary gates for quantum computation https://arxiv.org/abs/quant-ph/9503016

Researchers develop superconducting quantum refrigerator https://www.sciencedaily.com/releases/2019/06/190604131212.htm

Keras https://www.tensorflow.org/guide/keras?hl=en

税制適格ストックオプションとは？メリットや有償・非適格との違い https://mastory.jp/税制適格ストックオプション

How to undo (almost) anything with Git https://github.blog/2015-06-08-how-to-undo-almost-anything-with-git/

Kyulux https://www.kyulux.com/?lang=ja

Periodicity of molecular clusters based on symmetry-adapted orbital model https://www.nature.com/articles/s41467-019-11649-0

Symbolic integration with respect to the Haar measure on the unitary groups https://arxiv.org/abs/1109.4244

Hypercharge Quantisation and Fermat's Last Theorem https://arxiv.org/abs/1907.00514

Improving the Cauchy-Schwarz inequality https://arxiv.org/abs/1907.05024

quantumarticle – Document class for submissions to the Quantum journal https://ctan.org/pkg/quantumarticle

Release Notes https://qiskit.org/documentation/release_notes.html

Richard C. Brower http://physics.bu.edu/~brower/

Department of Energy Announces $37 Million for Materials and Chemistry Research in Quantum Information Science https://science.osti.gov/-/media/bes/pdf/Funding/BES_QIS_Awards_FY2019.pdf

Flask

Flask (source code) is a Python web framework built with a small core and easy-to-extend philosophy.

https://www.fullstackpython.com/flask.html

Clang

The Clang project provides a language front-end and tooling infrastructure for languages in the C language family (C, C++, Objective C/C++, OpenCL, CUDA, ...

Getting Started With Testing in Python https://realpython.com/python-testing/

うちの研究室 (String theory) に興味のある学生さんへ https://member.ipmu.jp/yuji.tachikawa/misc/for-undergrads.html

博士論文執筆の際にお願いしたいこと https://member.ipmu.jp/yuji.tachikawa/misc/dron.html

日本の漢字 https://www.beret.co.jp/column/319.html

Yao https://github.com/Roger-luo/quantum-benchmarks

国民祭典 1 http://www.news24.jp/articles/2019/11/09/07541718.html

国民祭典 2 http://www.news24.jp/articles/2019/11/09/07541720.html

パレード http://www.news24.jp/articles/2019/11/10/07542041.html

http://www.news24.jp/articles/2019/11/20/06547549.html?cx_genre-pcclick=trend-international