Greg Medders
Greg Medders
Software Engineer, Comcast
Verified email at comcast.com
Title
Cited by
Cited by
Year
Development of a “First Principles” Water Potential with Flexible Monomers. II: Trimer Potential Energy Surface, Third Virial Coefficient, and Small Clusters
V Babin, GR Medders, F Paesani
Journal of Chemical Theory and Computation 10 (4), 1599-1607, 2014
2302014
Development of a “First-Principles” Water Potential with Flexible Monomers. III. Liquid Phase Properties
GR Medders, V Babin, F Paesani
Journal of Chemical Theory and Computation 10 (8), 2906-2910, 2014
2202014
A critical assessment of two-body and three-body interactions in water
GR Medders, V Babin, F Paesani
Journal of Chemical Theory and Computation 9 (2), 1103-1114, 2013
1342013
Infrared and Raman Spectroscopy of Liquid Water through “First-Principles” Many-Body Molecular Dynamics
GR Medders, F Paesani
Journal of Chemical Theory and Computation 11 (3), 1145-1154, 2015
1332015
Toward a universal water model: First principles simulations from the dimer to the liquid phase
V Babin, GR Medders, F Paesani
The Journal of Physical Chemistry Letters 3 (24), 3765-3769, 2012
1282012
Dissecting the molecular structure of the air/water interface from quantum simulations of the sum-frequency generation spectrum
GR Medders, F Paesani
Journal of the American Chemical Society 138 (11), 3912-3919, 2016
1192016
On the representation of many-body interactions in water
GR Medders, AW Götz, MA Morales, P Bajaj, F Paesani
The Journal of Chemical Physics 143 (10), 104102, 2015
802015
Water Dynamics in Metal–Organic Frameworks: Effects of Heterogeneous Confinement Predicted by Computational Spectroscopy
GR Medders, F Paesani
The Journal of Physical Chemistry Letters 5 (16), 2897-2902, 2014
412014
On the interplay of the potential energy and dipole moment surfaces in controlling the infrared activity of liquid water
GR Medders, F Paesani
The Journal of Chemical Physics 142 (21), 212411, 2015
292015
Many-body convergence of the electrostatic properties of water
GR Medders, F Paesani
Journal of Chemical Theory and Computation 9 (11), 4844-4852, 2013
262013
Ultrafast Electronic Relaxation through a Conical Intersection: Nonadiabatic Dynamics Disentangled through an Oscillator Strength-Based Diabatization Framework
GR Medders, EC Alguire, A Jain, JE Subotnik
The Journal of Physical Chemistry A 121 (7), 1425-1434, 2017
92017
Configuration interaction singles with spin-orbit coupling: Constructing spin-adiabatic states and their analytical nuclear gradients
N Bellonzi, GR Medders, E Epifanovsky, JE Subotnik
The Journal of Chemical Physics 150 (1), 014106, 2019
82019
Potential energy surfaces of the first three singlet states of CH3Cl
G Granucci, G Medders, AM Velasco
Chemical Physics Letters 500 (4-6), 202-206, 2010
82010
Development of "first principles" methods for modeling vibrational spectra in condensed phases
GR Medders
2015
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Articles 1–14