Carl McBride Ellis
Carl McBride Ellis
Data scientist (private sector)
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Anomalies in water as obtained from computer simulations of the TIP4P/2005 model: density maxima, and density, isothermal compressibility and heat capacity minima
HL Pi, JL Aragones, C Vega, EG Noya, JLF Abascal, MA Gonzalez, ...
Molecular Physics 107 (4-6), 365-374, 2009
Radial distribution functions and densities for the SPC/E, TIP4P and TIP5P models for liquid water and ices I h, I c, II, III, IV, V, VI, VII, VIII, IX, XI and XII
C Vega, C McBride, E Sanz, JLF Abascal
Physical Chemistry Chemical Physics 7 (7), 1450-1456, 2005
Can simple models describe the phase diagram of water?
C Vega, JLF Abascal, E Sanz, LG MacDowell, C McBride
Journal of Physics: Condensed Matter 17 (45), S3283, 2005
Heat capacity of water: A signature of nuclear quantum effects
C Vega, MM Conde, C McBride, JLF Abascal, EG Noya, R Ramírez, ...
The Journal of chemical physics 132, 046101, 2010
Quantum contributions in the ice phases: The path to a new empirical model for water—TIP4PQ/2005
C McBride, C Vega, EG Noya, R Ramírez, LM Sesé
The Journal of chemical physics 131 (2), 024506, 2009
Phase behavior of attractive and repulsive ramp fluids: Integral equation and computer simulation studies
E Lomba, NG Almarza, C Martin, C McBride
The Journal of chemical physics 126 (24), 2007
Molecular dynamics simulations of liquid crystal phases using atomistic potentials (vol 93, pg 955, 1998)
C McBride, MR Wilson, JAK Howard
MOLECULAR PHYSICS 95 (1), 121-121, 1998
Molecular dynamics simulations of liquid crystal phases using atomistic potentials
C Mcbride, MR Wilson, JAK Howard
Molecular Physics 93 (6), 955-964, 1998
The fluid–solid equilibrium for a charged hard sphere model revisited
C Vega, JLF Abascal, C McBride, F Bresme
The Journal of chemical physics 119 (2), 964-971, 2003
Liquid crystal phase formation for the linear tangent hard sphere model from Monte Carlo simulations
C Vega, C McBride, LG MacDowell
Journal of Chemical Physics 115 (9), 4203-4211, 2001
Molecular dynamics simulations of a flexible liquid crystal
C McBRIDE, MR Wilson
Molecular Physics 97 (4), 511-522, 1999
Can gas hydrate structures be described using classical simulations?
MM Conde, C Vega, C McBride, EG Noya, R Ramírez, LM Sesé
The Journal of chemical physics 132 (11), 114503, 2010
The range of meta stability of ice-water melting for two simple models of water
C McBride, C Vega*, E Sanz, LG MacDowell, JLF Abascal
Molecular physics 103 (1), 1-5, 2005
Isotropic-nematic phase transition: Influence of intramolecular flexibility using a fused hard sphere model
C McBride, C Vega, LG MacDowell
Physical Review E 64 (1), 011703, 2001
The phase diagram of water from quantum simulations
C McBride, EG Noya, JL Aragones, MM Conde, C Vega
Physical Chemistry Chemical Physics 14 (29), 10140-10146, 2012
The phase diagram of the two center Lennard-Jones model as obtained from computer simulation and Wertheim’s thermodynamic perturbation theory
C Vega, C McBride, E De Miguel, FJ Blas, A Galindo
The Journal of chemical physics 118 (23), 10696-10706, 2003
A Monte Carlo study of the influence of molecular flexibility on the phase diagram of a fused hard sphere model
C McBride, C Vega
The Journal of chemical physics 117 (22), 10370-10379, 2002
The second virial coefficient of the dipolar two center Lennard-Jones model
C Vega, C McBride, C Menduiña
Physical Chemistry Chemical Physics 4 (13), 3000-3007, 2002
Path integral Monte Carlo simulations for rigid rotors and their application to water
EG Noya, LM Sesé, R Ramírez, C McBride, MM Conde, C Vega
Molecular Physics 109 (1), 149-168, 2011
Formation of high density amorphous ice by decompression of ice VII and ice VIII at 135 K
C McBride, C Vega, E Sanz, JLF Abascal
The Journal of chemical physics 121 (23), 11907-11911, 2004
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