المؤلفون: Vu Tuan Hai, Nguyen Tan Viet, Le Bin Ho

المصدر: SoftwareX, Vol 26, Iss , Pp 101726- (2024)

مصطلحات موضوعية: Variational quantum algorithm, Quantum compilation, Qiskit package, Quantum state preparation, Quantum dynamics simulation, Computer software, QA76.75-76.765

وصف الملف: electronic resource

Relation: http://www.sciencedirect.com/science/article/pii/S2352711024000979; https://doaj.org/toc/2352-7110

URL الوصول: https://doaj.org/article/037d66b613c747bd84c63b946df2261a

المؤلفون: Powers, Connor, Bassman, Lindsay, Linker, Thomas M, Nomura, Ken-ichi, Gulania, Sahil, Kalia, Rajiv K, Nakano, Aiichiro, Vashishta, Priya

مصطلحات موضوعية: Engineering, Information and Computing Sciences, Applied Computing, Electronics, Sensors and Digital Hardware, Physical Sciences, Atomic, Molecular and Optical Physics, Quantum dynamics simulation, Quantum computing, quant-ph, Computer Software

وصف الملف: application/pdf

URL الوصول: https://escholarship.org/uc/item/2nk011fc

المؤلفون: Connor Powers, Lindsay Bassman, Thomas M. Linker, Ken-ichi Nomura, Sahil Gulania, Rajiv K. Kalia, Aiichiro Nakano, Priya Vashishta

المصدر: SoftwareX, Vol 14, Iss , Pp 100696- (2021)

مصطلحات موضوعية: Quantum dynamics simulation, Quantum computing, Computer software, QA76.75-76.765

وصف الملف: electronic resource

Relation: http://www.sciencedirect.com/science/article/pii/S2352711021000418; https://doaj.org/toc/2352-7110

URL الوصول: https://doaj.org/article/658457c595894eb4b332eb22a63f4b53

المؤلفون: Yoonhoo Ha (2898437), Jong-Goo Park (10969402), Ki-Ha Hong (1316016), Hyungjun Kim (533683)

مصطلحات موضوعية: Biophysics, Medicine, Neuroscience, Sociology, Space Science, Chemical Sciences not elsewhere classified, Physical Sciences not elsewhere classified, Information Systems not elsewhere classified, various polymorphic phases, octahedral tilt minimizes, material design principle, longitudinal br fluctuation, attracted tremendous attention, ab initio <, site cation dynamics, symmetric cubic phase, quantum confinement regime, cubic phase shows, preferred crystalline symmetry, quantum dynamics simulation, nonadiabatic carrier dynamics, halide perovskites metal, enhanced light emission, 3 , carrier dynamics, halide perovskites, quantum yield, orthorhombic phase, symmetry engineering, thus anticipate

Relation: https://figshare.com/articles/journal_contribution/Enhanced_Light_Emission_through_Symmetry_Engineering_of_Halide_Perovskites/17695404

الاتاحة: https://doi.org/10.1021/jacs.1c09891.s001

المؤلفون: Bidhan Chandra Garain (11226562), Pralok K. Samanta (2008942), Swapan K. Pati (1483624)

مصطلحات موضوعية: Biophysics, Medicine, Ecology, Inorganic Chemistry, Space Science, Physical Sciences not elsewhere classified, Theoretical Study Intersystem, quantum dynamics simulation, S 1 state, LUMO, HOMO, T 2 states, T 1 state, T 1, nature, rISC, donor, CT, i.e, acceptor, S 1, hole wave functions

Relation: https://figshare.com/articles/journal_contribution/Intersystem_Crossing_in_Boron-Based_Donor_Spiro_Acceptor_Organic_Chromophore_A_Detailed_Theoretical_Study/15101374

الاتاحة: https://doi.org/10.1021/acs.jpca.1c03729.s001

المؤلفون: James Brown (425608), Robert A. Lang (8000690), Tao Zeng (103451)

مصطلحات موضوعية: Biochemistry, Medicine, Molecular Biology, Pharmacology, Ecology, Sociology, Developmental Biology, Cancer, Computational Biology, Biological Sciences not elsewhere classified, Information Systems not elsewhere classified, Hamiltonian expansions, Jahn, formalism, pseudo-Jahn, MCTDH quantum dynamics simulation p., problem

Relation: https://figshare.com/articles/journal_contribution/Unified_Hamiltonian_Formalism_of_Jahn_Teller_and_Pseudo-Jahn_Teller_Problems_in_Axial_Symmetries/14763454

الاتاحة: https://doi.org/10.1021/acs.jctc.1c00419.s001

المؤلفون: Graham Worth, Michael Parkes

مصطلحات موضوعية: Theoretical quantum chemistry, Thiophene, Quantum dynamics simulation, photo-excitation dynamics, MCTDH, Vibronic Coupling

Relation: https://figshare.com/articles/dataset/The_Simple_Photochemistry_of_Thiophene/26076520

الاتاحة: https://doi.org/10.5522/04/26076520.v1
https://figshare.com/articles/dataset/The_Simple_Photochemistry_of_Thiophene/26076520

المؤلفون: Kirkby, OM, Parkes, MA, Neville, SP, Worth, GA, Fielding, HH

المصدر: Chemical Physics Letters , 683 pp. 179-185. (2017)

مصطلحات موضوعية: Time-resolved photoelectron spectroscopy, Pyrrole, Ultrafast internal conversion, Quantum dynamics simulation, Electronic relaxation

وصف الملف: text

Relation: https://discovery.ucl.ac.uk/id/eprint/1557903/1/kaede_jpclett_final.pdf; https://discovery.ucl.ac.uk/id/eprint/1557903/

الاتاحة: https://discovery.ucl.ac.uk/id/eprint/1557903/1/kaede_jpclett_final.pdf
https://discovery.ucl.ac.uk/id/eprint/1557903/

المؤلفون: Spinlove, KE, Vacher, M, Bearpark, M, Robb, MA, Worth, GA

المصدر: Chemical Physics , 482 pp. 52-63. (2017)

مصطلحات موضوعية: Charge migration, Charge transfer, Quantum dynamics simulation, MCTDH, GWP method, Ehrenfest dynamics

وصف الملف: text

Relation: https://discovery.ucl.ac.uk/id/eprint/1549808/1/paper.pdf; https://discovery.ucl.ac.uk/id/eprint/1549808/

الاتاحة: https://discovery.ucl.ac.uk/id/eprint/1549808/1/paper.pdf
https://discovery.ucl.ac.uk/id/eprint/1549808/

المؤلفون: Ueno, Seiji

Thesis Advisors: 植野, 正嗣, ウエノ, セイジ

مصطلحات موضوعية: Molecular Dynamics Simulation, Quantum Dynamics Simulation, Machine Learning, Harmonic Oscillator Bath Model, 400

الاتاحة: http://hdl.handle.net/2433/265958

المؤلفون: Ueno, Seiji

المساهمون: 谷村, 吉隆, 林, 重彦, 渡邊, 一也

مصطلحات موضوعية: Machine Learning, Quantum Dynamics Simulation, Molecular Dynamics Simulation, Harmonic Oscillator Bath Model

وصف الملف: application/pdf

URL الوصول: https://explore.openaire.eu/search/publication?articleId=jairo_______::7fc866e96cdaf2526f7b2232448c62f4
http://hdl.handle.net/2433/265958

المؤلفون: Aiichiro Nakano, Rajiv K. Kalia, Thomas Linker, Connor Powers, Ken-ichi Nomura, Priya Vashishta, Lindsay Bassman, Sahil Gulania

المصدر: SoftwareX, Vol 14, Iss, Pp 100696-(2021)

مصطلحات موضوعية: Current (mathematics), Computer science, Quantum dynamics, FOS: Physical sciences, Cloud computing, 01 natural sciences, Computational science, Computer Software, QA76.75-76.765, 03 medical and health sciences, Software, quant-ph, 0103 physical sciences, Computer software, 010306 general physics, Quantum, 030304 developmental biology, Electronic circuit, Quantum computer, Quantum Physics, 0303 health sciences, business.industry, Quantum computing, Computer Science Applications, Variety (cybernetics), ComputerSystemsOrganization_MISCELLANEOUS, Quantum dynamics simulation, Quantum Physics (quant-ph), business

وصف الملف: application/pdf

URL الوصول: https://explore.openaire.eu/search/publication?articleId=doi_dedup___::37a4bc6b3a65c5f312a688be8f08841c
https://escholarship.org/uc/item/2nk011fc

المؤلفون: Ueno, Seiji

المساهمون: 植野, 正嗣, ウエノ, セイジ

مصطلحات موضوعية: Molecular Dynamics Simulation, Quantum Dynamics Simulation, Machine Learning, Harmonic Oscillator Bath Model

Time: 400

Relation: http://hdl.handle.net/2433/265958; 14301

الاتاحة: http://hdl.handle.net/2433/265958
https://doi.org/10.14989/doctor.r13434

المؤلفون: Morzan, U.N., Ramírez, F.F., González Lebrero, M.C., Scherlis, D.A.

مصطلحات موضوعية: Bins, Calculations, Current voltage characteristics, Dynamics, Electron transport properties, Equations of motion, Quantum theory, Current voltage curve, Gaussian basis functions, Initial perturbation, Molecular conductance, Quantum dynamics simulation, Semi-empirical methods, Tight-binding calculations, Unsaturated hydrocarbons, Density functional theory

Relation: http://hdl.handle.net/20.500.12110/paper_00219606_v146_n4_p_Morzan

الاتاحة: https://hdl.handle.net/20.500.12110/paper_00219606_v146_n4_p_Morzan

المؤلفون: Morzan, Uriel Nicolas, González Lebrero, Mariano Camilo

مصطلحات موضوعية: Bins, Calculations, Current voltage characteristics, Dynamics, Electron transport properties, Equations of motion, Quantum theory, Current voltage curve, Gaussian basis functions, Initial perturbation, Molecular conductance, Quantum dynamics simulation, Semi-empirical methods, Tight-binding calculations, Unsaturated hydrocarbons, Density functional theory

Relation: https://bibliotecadigital.exactas.uba.ar/collection/paper/document/paper_00219606_v146_n4_p_Morzan; http://hdl.handle.net/20.500.12110/paper_00219606_v146_n4_p_Morzan

الاتاحة: https://bibliotecadigital.exactas.uba.ar/collection/paper/document/paper_00219606_v146_n4_p_Morzan
https://hdl.handle.net/20.500.12110/paper_00219606_v146_n4_p_Morzan

المؤلفون: Powers, C, Powers, C, Bassman, L, Linker, TM, Nomura, KI, Gulania, S, Kalia, RK, Nakano, A, Vashishta, P

مصطلحات الفهرس: Quantum dynamics simulation, Quantum computing, quant-ph, Computer Software, publication

URL: https://escholarship.org/uc/item/2nk011fc
https://escholarship.org/

المؤلفون: Spinlove, K. E., Vacher, Morgane, Bearpark, M., Robb, M. A., Worth, G. A.

مصطلحات الفهرس: Charge migration, Charge transfer, Quantum dynamics simulation, MCTDH, GWP method, Ehrenfest dynamics, Physical Chemistry, Fysikalisk kemi, Article in journal, info:eu-repo/semantics/article, text

URL: http://urn.kb.se/resolve?urn=urn:nbn:se:uu:diva-319137
Chemical Physics, 0301-0104, 2017, 482, s. 52-63