![]() ![]() Greenman L, Whaley KB, Haxton DJ, McCurdy CW. Number-squeezed and fragmented states of strongly interacting bosons in a double well Physical Review A. Using coherence to enhance function in chemical and biophysical systems. Scholes GD, Fleming GR, Chen LX, Aspuru-Guzik A, Buchleitner A, Coker DF, Engel GS, van Grondelle R, Ishizaki A, Jonas DM, Lundeen JS, McCusker JK, Mukamel S, Ogilvie JP, Olaya-Castro A. Cluster decomposition of full configuration interaction wave functions: A tool for chemical interpretation of systems with strong correlation. Lehtola S, Tubman NM, Whaley KB, Head-Gordon M. Single-photon absorption by single photosynthetic light-harvesting complexes Journal of Physics B: Atomic, Molecular and Optical Physics. DOI: 10.22331/Q-96Ĭhan HCH, Gamel OE, Fleming GR, Whaley KB. Distinguishability times and asymmetry monotone-based quantum speed limits in the Bloch ball Quantum. Molecular Mechanics Simulations and Improved Tight-Binding Hamiltonians for Artificial Light Harvesting Systems: Predicting Geometric Distributions, Disorder, and Spectroscopy of Chromophores in a Protein Environment. Lee J, Lee D, Kocherzhenko AA, Greenman L, Finley DT, Francis MB, Whaley KB. Journal of Chemical Theory and Computation. Generalized Unitary Coupled Cluster Wavefunctions for Quantum Computation. Lee J, Huggins WJ, Head-Gordon M, Whaley KB. Towards quantum machine learning with tensor networks Quantum Science and Technology. Huggins W, Patil P, Mitchell B, Whaley KB, Stoudenmire EM. Erratum: Optimizing for an arbitrary perfect entangler. Goerz MH, Gualdi G, Reich DM, Koch CP, Motzoi F, Whaley KB, Vala J, Müller MM, Montangero S, Calarco T. Dynamical mean field theory simulations with the adaptive sampling configuration interaction method Physical Review B. What levels of coupled cluster theory are appropriate for transition metal systems? A study using near exact quantum chemical values for 3d transition metal binary compounds. Hait D, Tubman NM, Levine DS, Whaley KB, Head-Gordon M. A Non-Orthogonal Variational Quantum Eigensolver New Journal of Physics. Huggins WJ, Lee J, Baek U, O'gorman B, Whaley KB. Optimality of feedback control for qubit purification under inefficient measurement Physical Review A. ![]() CASSCF with Extremely Large Active Spaces using the Adaptive Sampling Configuration Interaction Method. Levine DS, Hait D, Tubman NM, Lehtola S, Whaley KB, Head-Gordon M. Modern Approaches to Exact Diagonalization and Selected Configuration Interaction with the Adaptive Sampling CI Method. Tubman NM, Freeman CD, Levine DS, Hait D, Head-Gordon M, Whaley KB. ![]() The Journal of Physical Chemistry Letters. The Ground State Electronic Energy of Benzene. PMID 33810679 DOI: 10.1063/5.0044060Įriksen JJ, Anderson TA, Deustua JE, Ghanem K, Hait D, Hoffmann MR, Lee S, Levine DS, Magoulas I, Shen J, Tubman NM, Whaley KB, Xu E, Yao Y, Zhang N, et al. Are multi-quasiparticle interactions important in molecular ionization? The Journal of Chemical Physics. Mejuto-Zaera C, Weng G, Romanova M, Cotton SJ, Whaley KB, Tubman NM, Vlček V. Software for the frontiers of quantum chemistry: An overview of developments in the Q-Chem 5 package. Epifanovsky E, Gilbert ATB, Feng X, Lee J, Mao Y, Mardirossian N, Pokhilko P, White AF, Coons MP, Dempwolff AL, Gan Z, Hait D, Horn PR, Jacobson LD, Kaliman I. ![]()
0 Comments
Leave a Reply. |
AuthorWrite something about yourself. No need to be fancy, just an overview. ArchivesCategories |