☰

Gabriel Hanna - Publications

Affiliations: 
2006-2009 Department of Chemistry University of Alberta, Edmonton, Alberta, Canada 
Tree Info Similar researchers PubMed Report error

43 high-probability publications. We are testing a new system for linking publications to authors. You can help! If you notice any inaccuracies, please sign in and mark papers as correct or incorrect matches. If you identify any major omissions or other inaccuracies in the publication list, please let us know.

Year Citation  Score
2024 Liu Z, Hanna G. Population and Energy Transfer Dynamics in an Open Excitonic Quantum Battery. Molecules (Basel, Switzerland). 29. PMID 38398641 DOI: 10.3390/molecules29040889  0.359
2021 Carpio-Martínez P, Hanna G. Quantum bath effects on nonequilibrium heat transport in model molecular junctions. The Journal of Chemical Physics. 154: 094108. PMID 33685175 DOI: 10.1063/5.0040752  0.394
2020 Tholen P, Peeples CA, Schaper R, Bayraktar C, Erkal TS, Ayhan MM, Çoşut B, Beckmann J, Yazaydin AO, Wark M, Hanna G, Zorlu Y, Yücesan G. Semiconductive microporous hydrogen-bonded organophosphonic acid frameworks. Nature Communications. 11: 3180. PMID 32576877 DOI: 10.1038/S41467-020-16977-0  0.307
2019 Carpio-Martínez P, Hanna G. Nonequilibrium heat transport in a molecular junction: A mixed quantum-classical approach. The Journal of Chemical Physics. 151: 074112. PMID 31438711 DOI: 10.1063/1.5113599  0.486
2019 Sergi A, Grimaudo R, Hanna G, Messina A. Proposal of a Computational Approach for Simulating Thermal Bosonic Fields in Phase Space Physics. 1: 402-411. DOI: 10.3390/Physics1030029  0.348
2019 Liu J, Segal D, Hanna G. Hybrid quantum-classical simulation of quantum speed limits in open quantum systems Journal of Physics a: Mathematical and Theoretical. 52: 215301. DOI: 10.1088/1751-8121/Ab15Eb  0.537
2019 Liu J, Segal D, Hanna G. Loss-Free Excitonic Quantum Battery The Journal of Physical Chemistry C. 123: 18303-18314. DOI: 10.1021/Acs.Jpcc.9B06373  0.433
2018 Liu J, Hsieh CY, Segal D, Hanna G. Heat transfer statistics in mixed quantum-classical systems. The Journal of Chemical Physics. 149: 224104. PMID 30553258 DOI: 10.1063/1.5066025  0.477
2018 Liu J, Hanna G. Efficient and Deterministic Propagation of Mixed Quantum-Classical Liouville Dynamics. The Journal of Physical Chemistry Letters. PMID 29947224 DOI: 10.1021/Acs.Jpclett.8B01619  0.547
2018 Sergi A, Hanna G, Grimaudo R, Messina A. Quasi-Lie Brackets and the Breaking of Time-Translation Symmetry for Quantum Systems Embedded in Classical Baths Symmetry. 10: 518. DOI: 10.3390/Sym10100518  0.552
2018 Hsieh C, Carpio-Martinez P, Hanna G. Achieving ultrafast topologically-protected vibrational energy transfer in a dimer chain Chemical Physics. 515: 315-322. DOI: 10.1016/J.Chemphys.2018.09.006  0.437
2018 Dell’Angelo D, Hanna G. On the performance of multi-state transition filtering in mixed quantum-classical Liouville surface-hopping simulations: beyond two- and three-state quantum subsystems Theoretical Chemistry Accounts. 137. DOI: 10.1007/S00214-017-2194-8  0.518
2017 Dell’Angelo D, Hanna G. Importance of eigenvector sign consistency in computations of expectation values via mixed quantum-classical surface-hopping dynamics Theoretical Chemistry Accounts. 136. DOI: 10.1007/S00214-017-2105-Z  0.593
2016 Shakib F, Hanna G. A Mixed Quantum-Classical Liouville Approach for Calculating Proton-Coupled Electron Transfer Rate Constants. Journal of Chemical Theory and Computation. PMID 27232936 DOI: 10.1021/Acs.Jctc.6B00362  0.748
2016 Shakib FA, Hanna G. New insights into the nonadiabatic state population dynamics of model proton-coupled electron transfer reactions from the mixed quantum-classical Liouville approach. The Journal of Chemical Physics. 144: 024110. PMID 26772557 DOI: 10.1063/1.4939586  0.746
2016 Martinez F, Hanna G. Mixed Quantum-Classical Simulations of Transient Absorption Pump-Probe Signals for a Photo-Induced Electron Transfer Reaction Coupled to an Inner-Sphere Vibrational Mode. The Journal of Physical Chemistry. A. PMID 26766568 DOI: 10.1021/Acs.Jpca.5B11727  0.547
2016 Dell'Angelo D, Hanna G. Self-Consistent Filtering Scheme for Efficient Calculations of Observables via the Mixed Quantum-Classical Liouville Approach. Journal of Chemical Theory and Computation. 12: 477-85. PMID 26731044 DOI: 10.1021/Acs.Jctc.5B00991  0.389
2016 Shakib FA, Hanna G. New insights into the nonadiabatic state population dynamics of model proton-coupled electron transfer reactions from the mixed quantum-classical Liouville approach Journal of Chemical Physics. 144. DOI: 10.1063/1.4939586  0.746
2016 Freedman H, Hanna G. Mixed quantum–classical Liouville simulation of vibrational energy transfer in a model α-helix at 300 K Chemical Physics. 477: 74-87. DOI: 10.1016/J.Chemphys.2016.08.015  0.507
2015 Martinez F, Hanna G. Assessment of approximate solutions of the quantum-classical Liouville equation for dynamics simulations of quantum subsystems embedded in classical environments Molecular Simulation. 41: 107-122. DOI: 10.1080/08927022.2014.923573  0.492
2014 Shakib FA, Hanna G. An analysis of model proton-coupled electron transfer reactions via the mixed quantum-classical Liouville approach. The Journal of Chemical Physics. 141: 044122. PMID 25084896 DOI: 10.1063/1.4890915  0.78
2014 Galib M, Hanna G. The role of hydrogen bonding in the decomposition of H₂CO₃ in water: mechanistic insights from ab initio metadynamics studies of aqueous clusters. The Journal of Physical Chemistry. B. 118: 5983-93. PMID 24814473 DOI: 10.1021/Jp5029195  0.321
2014 Freedman H, Hanna G. New Insights on Interactions of a Quantum Vibration with an Environment of Hydrogen-Bonded Groups from the Mixed Quantum-Classical Liouville Approach Biophysical Journal. 106: 807a. DOI: 10.1016/J.Bpj.2013.11.4424  0.567
2014 Shakib F, Hanna G. Investigations of Model Proton-Coupled Electron Transfer Reactions from a Mixed Quantum-Classical Liouville Perspective Biophysical Journal. 106: 807a. DOI: 10.1016/J.Bpj.2013.11.4423  0.769
2014 Hanna G, Kapral R. Quantum-classical liouville dynamics of condensed phase quantum processes Rsc Theoretical and Computational Chemistry Series. 233-259.  0.414
2013 Rekik N, Hsieh CY, Freedman H, Hanna G. A mixed quantum-classical Liouville study of the population dynamics in a model photo-induced condensed phase electron transfer reaction. The Journal of Chemical Physics. 138: 144106. PMID 24981527 DOI: 10.1063/1.4799272  0.574
2013 Tomkins J, Hanna G. Signatures of nanoconfinement on the linear and nonlinear vibrational spectroscopy of a model hydrogen-bonded complex dissolved in a polar solvent. The Journal of Physical Chemistry. B. 117: 13619-30. PMID 24079369 DOI: 10.1021/Jp407469F  0.486
2013 Sow CS, Tomkins J, Hanna G. Computational study of the one- and two-dimensional infrared spectra of a proton-transfer mode in a hydrogen-bonded complex dissolved in a polar nanocluster. Chemphyschem : a European Journal of Chemical Physics and Physical Chemistry. 14: 3309-18. PMID 23946271 DOI: 10.1002/Cphc.201300610  0.412
2013 Martinez F, Rekik N, Hanna G. Simulation of nonlinear optical signals via approximate solutions of the quantum–classical Liouville equation: Application to the pump–probe spectroscopy of a condensed phase electron transfer reaction Chemical Physics Letters. 573: 77-83. DOI: 10.1016/J.Cplett.2013.04.018  0.41
2012 Rekik N, Ghalla H, Hanna G. Explaining the structure of the OH stretching band in the IR spectra of strongly hydrogen-bonded dimers of phosphinic acid and their deuterated analogs in the gas phase: a computational study. The Journal of Physical Chemistry. A. 116: 4495-509. PMID 22489963 DOI: 10.1021/Jp3016084  0.387
2011 Galib M, Hanna G. Mechanistic insights into the dissociation and decomposition of carbonic acid in water via the hydroxide route: an ab initio metadynamics study. The Journal of Physical Chemistry. B. 115: 15024-35. PMID 22053746 DOI: 10.1021/Jp207752M  0.345
2011 Hanna G, Geva E. Signature of nonadiabatic transitions on the pump-probe infrared spectra of a hydrogen-bonded complex dissolved in a polar solvent: a computational study. The Journal of Physical Chemistry. B. 115: 5191-200. PMID 20853862 DOI: 10.1021/Jp1061495  0.641
2010 Hanna G, Geva E. Computational study of the signature of hydrogen-bond strength on the infrared spectra of a hydrogen-bonded complex dissolved in a polar liquid Chemical Physics. 370: 201-207. DOI: 10.1016/J.Chemphys.2010.01.013  0.587
2009 McRobbie PL, Hanna G, Shi Q, Geva E. Signatures of nonequilibrium solvation dynamics on multidimensional spectra. Accounts of Chemical Research. 42: 1299-309. PMID 19552404 DOI: 10.1021/Ar800280S  0.693
2009 Hanna G, Geva E. Multidimensional spectra via the mixed quantum-classical Liouville method: signatures of nonequilibrium dynamics. The Journal of Physical Chemistry. B. 113: 9278-88. PMID 19530666 DOI: 10.1021/Jp902797Z  0.727
2008 Hanna G, Geva E. Isotope effects on the vibrational relaxation and multidimensional infrared spectra of the hydrogen stretch in a hydrogen-bonded complex dissolved in a polar liquid. The Journal of Physical Chemistry. B. 112: 15793-800. PMID 19368017 DOI: 10.1021/Jp8072816  0.644
2008 Hanna G, Geva E. Computational study of the one and two dimensional infrared spectra of a vibrational mode strongly coupled to its environment: beyond the cumulant and condon approximations. The Journal of Physical Chemistry. B. 112: 12991-3004. PMID 18800856 DOI: 10.1021/Jp804120V  0.667
2008 Hanna G, Kapral R. Quantum-classical Liouville dynamics of proton and deuteron transfer rates in a solvated hydrogen-bonded complex. The Journal of Chemical Physics. 128: 164520. PMID 18447472 DOI: 10.1063/1.2907847  0.686
2008 Hanna G, Geva E. Vibrational energy relaxation of a hydrogen-bonded complex dissolved in a polar liquid via the mixed quantum-classical Liouville method. The Journal of Physical Chemistry. B. 112: 4048-58. PMID 18331018 DOI: 10.1021/Jp076155B  0.692
2007 Hanna G, Kim H, Kapral R. Quantum-classical reaction rate theory Springer Series in Chemical Physics. 295-319. DOI: 10.1007/978-3-540-34460-5_13  0.693
2006 Kim H, Hanna G, Kapral R. Analysis of kinetic isotope effects for nonadiabatic reactions. The Journal of Chemical Physics. 125: 084509. PMID 16965031 DOI: 10.1063/1.2336778  0.674
2006 Hanna G, Kapral R. Nonadiabatic dynamics of condensed phase rate processes. Accounts of Chemical Research. 39: 21-7. PMID 16411736 DOI: 10.1021/Ar030281Q  0.687
2005 Hanna G, Kapral R. Quantum-classical Liouville dynamics of nonadiabatic proton transfer. The Journal of Chemical Physics. 122: 244505. PMID 16035780 DOI: 10.1063/1.1940051  0.724
Show low-probability matches.