Matthew R Hermes

20102017
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Research Output 2010 2017

2017
3 Citations (Scopus)

Low-rank canonical-tensor decomposition of potential energy surfaces: application to grid-based diagrammatic vibrational Green’s function theory

Rai, P., Sargsyan, K., Najm, H., Hermes, M. R. & Hirata, S., Sep 17 2017, In : Molecular Physics. 115, 17-18, p. 2120-2134 15 p.

Research output: Contribution to journalArticle

Potential energy surfaces
Green's function
Tensors
Green's functions
potential energy
2015
25 Citations (Scopus)

A Computational Re-examination of the Criegee Intermediate-Sulfur Dioxide Reaction

Kuwata, K. T., Guinn, E. J., Hermes, M. R., Fernandez, J. A., Mathison, J. M. & Huang, K., Oct 15 2015, In : Journal of Physical Chemistry A. 119, 41, p. 10316-10335 20 p.

Research output: Contribution to journalArticle

Sulfur Dioxide
Reaction intermediates
sulfur dioxides
reaction intermediates
examination
9 Citations (Scopus)

Diagrammatic theories of anharmonic molecular vibrations

Hermes, M. R. & Hirata, S., Jan 1 2015, In : International Reviews in Physical Chemistry. 34, 1, p. 71-97 27 p.

Research output: Contribution to journalArticle

Molecular vibrations
Monte Carlo methods
vibration
Excitation energy
Vibrational spectra
1 Citation (Scopus)
Potential energy surfaces
Physics
3 Citations (Scopus)
Molecular vibrations
Physics
9 Citations (Scopus)
Spin density waves
Charge density waves
perturbation
Liquids
Electronic structure
21 Citations (Scopus)

General-order many-body greens function method

Hirata, S., Hermes, M. R., Simons, J. & Ortiz, J. V., Apr 14 2015, In : Journal of Chemical Theory and Computation. 11, 4, p. 1595-1606 12 p.

Research output: Contribution to journalArticle

Green's function
Binding energy
Green's functions
binding energy
Electrons
2014
6 Citations (Scopus)

Normal-ordered second-quantized Hamiltonian for molecular vibrations

Hirata, S. & Hermes, M. R., Nov 14 2014, In : Journal of Chemical Physics. 141, 18, 184111.

Research output: Contribution to journalArticle

Molecular vibrations
Hamiltonians
vibration
Taylor series
self consistent fields
19 Citations (Scopus)

Second-order many-body perturbation theory: An eternal frontier

Hirata, S., He, X., Hermes, M. R. & Willow, S. Y., Jan 30 2014, In : Journal of Physical Chemistry A. 118, 4, p. 655-672 18 p.

Research output: Contribution to journalArticle

Approximation algorithms
Green's function
perturbation theory
Metals
Testing
4 Citations (Scopus)
Potential energy surfaces
self consistent fields
potential energy
Taylor series
Monte Carlo method
12 Citations (Scopus)

Stochastic many-body perturbation theory for anharmonic molecular vibrations

Hermes, M. R. & Hirata, S., Jan 1 2014, In : Journal of Chemical Physics. 141, 8, 084105.

Research output: Contribution to journalArticle

Molecular vibrations
Potential energy surfaces
perturbation theory
vibration
potential energy
2013
23 Citations (Scopus)

Convergence acceleration of parallel monte carlo second-order many-body perturbation calculations using redundant walkers

Willow, S. Y., Hermes, M. R., Kim, K. S. & Hirata, S., Oct 8 2013, In : Journal of Chemical Theory and Computation. 9, 10, p. 4396-4402 7 p.

Research output: Contribution to journalArticle

sampling
perturbation
Electron affinity
Electrons
Sampling
10 Citations (Scopus)

First-order dyson coordinates and geometry

Hermes, M. R. & Hirata, S., Aug 15 2013, In : Journal of Physical Chemistry A. 117, 32, p. 7179-7189 11 p.

Research output: Contribution to journalArticle

Electronic structure
self consistent fields
Geometry
geometry
Solid state physics
24 Citations (Scopus)

Second-order many-body perturbation expansions of vibrational Dyson self-energies

Hermes, M. R. & Hirata, S., Nov 19 2013, In : Journal of Chemical Physics. 139, 3, 034111.

Research output: Contribution to journalArticle

Potential energy surfaces
Taylor series
Vibrational spectra
Wave functions
Green's function
2012
18 Citations (Scopus)

Size-extensive vibrational self-consistent field methods with anharmonic geometry corrections

Hermes, M. R., Keeli, M. & Hirata, S., Jun 21 2012, In : Journal of Chemical Physics. 136, 23, 234109.

Research output: Contribution to journalArticle

self consistent fields
Geometry
geometry
diagrams
gradients
2011
22 Citations (Scopus)

The entropic and enthalpic contributions to force-dependent dissociation kinetics of the pyrophosphate bond

Hermes, M. & Boulatov, R., Dec 21 2011, In : Journal of the American Chemical Society. 133, 50, p. 20044-20047 4 p.

Research output: Contribution to journalArticle

Free energy
Chemical activation
Kinetics
Entropy
Reaction kinetics
2010
86 Citations (Scopus)

Computational studies of the isomerization and hydration reactions of acetaldehyde oxide and methyl vinyl carbonyl oxide

Kuwata, K. T., Hermes, M. R., Carlson, M. J. & Zogg, C. K., Sep 2 2010, In : Journal of Physical Chemistry A. 114, 34, p. 9192-9204 13 p.

Research output: Contribution to journalArticle

Acetaldehyde
acetaldehyde
Alkenes
Isomerization
Hydration