Sean A. Fischer

发表

O. Prezhdo, H. Jaeger, Sean A. Fischer, 2012, The Journal of chemical physics.

Regarding the validity of the time-dependent Kohn-Sham approach for electron-nuclear dynamics via trajectory surface hopping.

Walter R. Duncan, Bradley F. Habenicht, O. Prezhdo, 2011, The Journal of chemical physics.

Multiple Exciton Generation in Small Si Clusters: A High-Level, Ab Initio Study

C. Isborn, O. Prezhdo, Sean A. Fischer, 2010 .

First Principles Non-Adiabatic Excited-State Molecular Dynamics in NWChem.

S. Mukamel, N. Govind, C. Cramer, 2020, Journal of chemical theory and computation.

Infrared and Raman Spectroscopy from Ab Initio Molecular Dynamics and Static Normal Mode Analysis: The C-H Region of DMSO as a Case Study.

Niranjan Govind, Christopher J Cramer, W. Hess, 2016, The journal of physical chemistry. B.

Proton transport through hydrated chitosan‐based polymer membranes under electric fields

Brett I. Dunlap, B. Dunlap, Sean A. Fischer, 2017 .

Excited-state absorption in tetrapyridyl porphyrins: comparing real-time and quadratic-response time-dependent density functional theory.

N. Govind, C. Cramer, Sean A. Fischer, 2017, Physical chemistry chemical physics : PCCP.

Surface hopping with Ehrenfest excited potential.

Sean A. Fischer, Xiaosong Li, Craig T. Chapman, 2011, The Journal of chemical physics.

Conditions for Directional Charge Transfer in CdSe Quantum Dots Functionalized by Ru(II) Polypyridine Complexes.

S. Tretiak, Sean A. Fischer, S. Kilina, 2014, The journal of physical chemistry letters.

Excited states and optical absorption of small semiconducting clusters: Dopants, defects and charging

C. Isborn, O. Prezhdo, Sean A. Fischer, 2011 .

Energy-Specific Linear Response TDHF/TDDFT for Calculating High-Energy Excited States.

Michael J Frisch, Wenkel Liang, M. Frisch, 2011, Journal of chemical theory and computation.

Structural and theoretical studies of 4-chloro-2-methyl-6-oxo-3,6-dideuteropyrimidin-1-ium chloride (d 6)

R. Butcher, Sean A. Fischer, D. Gunlycke, 2021, Acta crystallographica. Section E, Crystallographic communications.

Dynamical Investigations of Inhomogeneous Vibrational Broadening in Diluted Magnetic Semiconductor Nanocrystals

Sean A. Fischer, Xiaosong Li, D. Lingerfelt, 2014 .

The role of surface defects in multi-exciton generation of lead selenide and silicon semiconductor quantum dots.

O. Prezhdo, H. Jaeger, Sean A. Fischer, 2012, The Journal of chemical physics.

Dopant Effects on Single and Multiple Excitons in Small Si Clusters: High-Level Ab Initio Calculations

O. Prezhdo, Sean A. Fischer, 2011 .

Thermotropic liquid crystal (5CB) on two-dimensional materials.

C. Spillmann, Sean A. Fischer, D. Gunlycke, 2019, Physical review. E.

Excited State Absorption from Real-Time Time-Dependent Density Functional Theory.

N. Govind, C. Cramer, Sean A. Fischer, 2015, Journal of chemical theory and computation.

Adsorption of the liquid crystal molecule 5CB on graphene

C. Spillmann, Sean A. Fischer, D. Gunlycke, 2018, Physical Review E.

Passivating ligand and solvent contributions to the electronic properties of semiconductor nanocrystals.

S. Tretiak, S. Ivanov, Sean A. Fischer, 2012, Nanoscale.

Insertion of the Liquid Crystal 5CB into Monovacancy Graphene

C. Spillmann, Sean A. Fischer, D. Gunlycke, 2022, Molecules.

Excited-State Absorption from Real-Time Time-Dependent Density Functional Theory: Optical Limiting in Zinc Phthalocyanine.

Niranjan Govind, Christopher J Cramer, N. Govind, 2016, The journal of physical chemistry letters.

Ice-nucleating bacteria control the order and dynamics of interfacial water

M. Bonn, U. Pöschl, J. Fröhlich-Nowoisky, 2016, Science Advances.

Solvated First-Principles Excited-State Charge-Transfer Dynamics with Time-Dependent Polarizable Continuum Model and Solvent Dielectric Relaxation

P. D. Nguyen, Sean A. Fischer, Feizhi Ding, 2012 .

Symmetry Configuration Mapping for Representing Quantum Systems on Quantum Computers.

Sean A. Fischer, D. Gunlycke, 2019, 1907.01493.

Efficient algorithm for generating Pauli coordinates for an arbitrary linear operator

Sean A. Fischer, D. Gunlycke, Mark C. Palenik, 2020, 2011.08942.

B. Dunlap, Sean A. Fischer, D. Gunlycke, 2018, Chemical science.

Experimental and theoretical comparison of Al27,Li7 , and C13 magic-angle-spinning NMR spectra for metal-atom clusters with rotational symmetry in their unit cells

P. Zavalij, B. Eichhorn, B. Dunlap, 2020 .

Hopping Around: Development of Methods for the Simulation of Non-Adiabatic Dynamics in Large Molecular Systems

Sean A. Fischer, 2013 .

Ab initio nonadiabatic molecular dynamics of wet-electrons on the TiO(2) surface.

O. Prezhdo, Sean A. Fischer, W. R. Duncan, 2009, Journal of the American Chemical Society.

Symmetry Configuration Mapping for Compact Representation of Quantum Chemistry on Quantum Computers

Sean A. Fischer, D. Gunlycke, 2019 .

Quantifying proton diffusion in acid-functionalized chitosan membranes

Sean A. Fischer, D. Gunlycke, Gloria Bazargan, 2021, Computational Materials Science.

Effect of Structure and Hydration Level on Water Diffusion in Chitosan Membranes

Sean A. Fischer, D. Gunlycke, Gloria Bazargan, 2021, Macromolecular Theory and Simulations.

Nonequilibrium Chemical Effects in Single-Molecule SERS Revealed by Ab Initio Molecular Dynamics Simulations.

W. Hess, N. Govind, P. El-Khoury, 2017, The journal of physical chemistry. A.

NWChem: Past, present, and future.

Jeffery S. Boschen, Nicholas P. Bauman, T. Straatsma, 2020, The Journal of chemical physics.

Trp-Cage Folding on Organic Surfaces.

J. Pfaendtner, J. Shea, Z. Levine, 2015, The journal of physical chemistry. B.

Decoherence-induced surface hopping.

O. Prezhdo, H. Jaeger, Sean A. Fischer, 2012, The Journal of chemical physics.

Ab initio nonadiabatic molecular dynamics of wet-electrons on the TiO(2) surface.

Walter R. Duncan, O. Prezhdo, Sean A. Fischer, 2009, Journal of the American Chemical Society.

Non-adiabatic molecular dynamics investigation of photoionization state formation and lifetime in Mn²⁺-doped ZnO quantum dots.

Sean A. Fischer, Xiaosong Li, D. Lingerfelt, 2014, Physical chemistry chemical physics : PCCP.