Quantum chemistry notebook #199
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alexfleury-sb
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ValentinS4t1qbit
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Aug 18, 2022
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Bon travail Alexandre, merci !
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* Formula for estimating n_measurements for exp value to given accuracy updated with simpler form. (#192) * Fix operator_expectation bug qith qubit operator / hamiltonian. (#191) * iqcc ilc solver fork (#179) * Make circuit iterable (#194) * copy method for circuits + get_resources adjusted for some variations of VQE + invertible swap gate fix (#193) * get_resources methods adjusted (VQE, SA-VQE) * Release guide for project maintainers + version string (#195) * Notebook: Important aspects of QChem modelling for QComputing (#199) * Notebooks enabled for Google colab ("No local install") (#198) * Docker fix (#200) * Excited states notebook (#197) * Translation function for qiskit qubit operators (paulisumop) (#196) Co-authored-by: Valentin Senicourt <[email protected]> Co-authored-by: AlexandreF-1qbit <[email protected]> Co-authored-by: JamesB-1qbit <[email protected]> Co-authored-by: MPCoons <[email protected]>
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* Formula for estimating n_measurements for exp value to given accuracy updated with simpler form. (#192) * Fix operator_expectation bug qith qubit operator / hamiltonian. (#191) * iqcc ilc solver fork (#179) * Make circuit iterable (#194) * copy method for circuits + get_resources adjusted for some variations of VQE + invertible swap gate fix (#193) * Release guide for project maintainers + version string (#195) * Notebook: Important aspects of QChem modelling for QComputing (#199) * Notebooks enabled for Google colab ("No local install" needed) (#198) * Docker fix (#200) * Excited states (#197) * Translation function for qubit operators (#196) * c2v axis definition changed (#205) * Bidirectional conversion for Qiskit quantum circuits (#203) * QEMISTClientConnection class (#207) * Add n_qubits option to MultiformOperator compress function (#209) * Quantum Signal Processing time-evolution (#204) * added even trotter order > 2 (#210) * Fixed number of qubits with scBK in ADAPT. (#214) * Export coverage output file in github actions (#158) * JKMN vector prep should return np array of int. (#215) * Support for additional IonQ gates (#212) * Remove unused n_min_orbitals attribute. (#218) * Change JKMN Majorana definition so mapped Hamiltonian is real (#219) * Relaxing condition fot iQCC-ILC test. (#221) * Histogram class (#217) * Compute energy from RDMs with FermionOperator (#220) * IonQConnection: control update prints / verbosity. (#225) * Refactor simulator (#213) * added __repr__ method to Gate (#229) * New bidirectional circuit translation functions and interface (#223) * Add circuit.depth() in get_resources methods (#235) * Variance and standard error of an expectation value (#238) * VQESolver cleanup (#230) * TETRIS-ADAPT-VQE (#241) * TETRISADAPTSolver implementation + #224 fix * Trotter order and active electrons for (i)QCC (#234) * Symmetry post-selection (#232) * Qiskit runtime integration (IBM quantum only) (#222) * Add multi-control support for trotterization (#244) * Compatibility with new QCloud outputs. (#246) * Deprecate Simulator, introduce get_backend as replacement (#245) * compute_rdms function (#228) * Expanded FermionOperator attributes, defined logical and mathematical operations on it (add, mul, eq, etc) * Bumping Tangelo version number in _version.py * Update CHANGELOG.md Co-authored-by: Valentin Senicourt <[email protected]> Co-authored-by: github-actions[bot] <41898282+github-actions[bot]@users.noreply.github.com> Co-authored-by: AlexandreF-1qbit <[email protected]> Co-authored-by: James Brown <[email protected]> Co-authored-by: JamesB-1qbit <[email protected]> Co-authored-by: MPCoons <[email protected]> Co-authored-by: elloyd-1qbit <[email protected]> Co-authored-by: KrzysztofB-1qbit <[email protected]> Co-authored-by: Rudi Plesch <[email protected]> Co-authored-by: GitHub Actions <[email protected]> Co-authored-by: Valentin Senicourt <[email protected]> Co-authored-by: Joshua Goings <[email protected]>
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Notebook about some basic notions for modelling chemical systems (a.k.a molecules).