Albert F. Wagner

Argonne National Laboratory — United States

Physics and Astronomy · Physical Sciences

46h-index7.4kcitations204works0.02yr avg
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Research Topics

Advanced Chemical Physics Studies(119), Spectroscopy and Quantum Chemical Studies(46), Spectroscopy and Laser Applications(38), Quantum, superfluid, helium dynamics(36), Atmospheric chemistry and aerosols(28)

Publications204 total

Ethane Molecular Energy Relaxation in High-Pressure Rare Gases
The Journal of Physical Chemistry A·2025
Pressure Effects on the Relaxation of an Excited Ethane Molecule in High-Pressure Bath Gases
The Journal of Physical Chemistry A·2021· 4 citedOpen Access
Mode‐specific pressure effects on the relaxation of an excited nitromethane molecule in an argon bath
International Journal of Chemical Kinetics·2020· 3 citedOpen Access
Pressure effects on the vibrational and rotational relaxation of vibrationally excited OH (ν, <i>J</i>) in an argon bath
The Journal of Chemical Physics·2019· 4 citedOpen Access
SIESTA‐SIPs: Massively parallel spectrum‐slicing eigensolver for an <i>ab initio</i> molecular dynamics package
Journal of Computational Chemistry·2018· 11 citedOpen Access
Toward accurate high temperature anharmonic partition functions
Proceedings of the Combustion Institute·2018· 11 citedOpen Access
RELAXATION OF VIBRATIONAL, ROTATIONAL, AND CORIOLIS ENERGIES OF AN EXCITED NITROMETHANE MOLECULE IN ARGON BATH
Proceedings of the 73rd International Symposium on Molecular Spectroscopy·2018Open Access
Anharmonic Rovibrational Partition Functions for Fluxional Species at High Temperatures via Monte Carlo Phase Space Integrals
The Journal of Physical Chemistry A·2018· 25 citedOpen Access
I. The Classification of Exact Quantum Methods for Nonreactive Scattering. II. Quantum Mechanical Calculations of Rotational-Vibrational Scattering in Homonuclear Diatom-Atom Collisions. III. The Effect of the Potential Well on Vibrational Scattering and the Validity of SSH Theory
CaltechTHESIS (California Institute of Technology)·2017Open Access
NORMAL MODE ANALYSIS ON THE RELAXATION OF AN EXCITED NITROMETHANE MOLECULE IN ARGON BATH
2017Open Access
Massively Parallel Spectrum Slicing Eigensolver for Ab Initio Calculations
Bulletin of the American Physical Society·2017
Benchmark Calculations of Energetic Properties of Groups 4 and 6 Transition Metal Oxide Nanoclusters Including Comparison to Density Functional Theory
Journal of Chemical Theory and Computation·2016· 41 cited
Pressure effects on the relaxation of an excited hydrogen peroxyl radical in an Argon bath
Proceedings of the Combustion Institute·2016· 9 citedOpen Access
Shift‐and‐invert parallel spectral transformation eigensolver: Massively parallel performance for density‐functional based tight‐binding
Journal of Computational Chemistry·2015· 23 citedOpen Access
Autobiography of Albert F. Wagner
The Journal of Physical Chemistry A·2015
A scalable sparse eigensolver for petascale applications
Bulletin of the American Physical Society·2015
Pressure effects on the relaxation of an excited nitromethane molecule in an argon bath
The Journal of Chemical Physics·2015· 19 citedOpen Access
Theoretical/experimental comparison of deep tunneling decay of quasi-bound H(D)OCO to H(D) + CO2
The Journal of Chemical Physics·2014· 15 cited
The Chemical Dynamics and Kinetics of Small Radicals
World Scientific Publishing Company eBooks·2014· 3 cited
Improved Multidimensional Semiclassical Tunneling Theory
The Journal of Physical Chemistry A·2013· 40 cited
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Frequent Co-authors

Lawrence B. Harding(11), George C. Schatz(8), Joel M. Bowman(7), Michael Minkoff(6), Donald L. Thompson(6), Richard Dawes(5), Branko Ruščić(4), David A. Dixon(3), Bruce C. Garrett(3), Donald G. Truhlar(3), Thom H. Dunning(3), David Gutman(3), J. V. Michael(3), M.‐C. Su(3), Stephen P. Walch(3), Reinhardt Pinzón(2), Robert L. Asher(2), David Feller(2), Kirk A. Peterson(2), Irene R. Slagle(2)