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Los Alamos National Laboratory

Los Alamos, NM

Richard Messerly's repositories

MBAR_GCMC

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IFPSC_10

Submission to Industrial Fluid Properties Simulation Challenge 10

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JCED_FOMMS_Manuscript

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RJMC-LJ-HVP

Reversible Jump MCMC for the Lennard-Jones fluid when predicting Heat of Vaporization

Language:Python100

RJMC_LJ_Ethane

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AIChE_2018

Abstracts for AIChE 2018

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Argon_Viscosity

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Git_Tutorial2

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Helium_ab_initio

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hello-world

My first repository

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Humboldt_Research_Fellowship

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IFPSC_10_manuscript

Language:TeXGPL-3.0000

MBAR_ITIC

Merging the MBAR and ITIC methodologies to optimize a TraPPE force switch model

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MBAR_LJ_two_states

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MBAR_sampling_LJ_methane

This repository is designed to compare the MBAR results that are obtained for the Lennard-Jones representation of methane using configurations from 92 states and from just a single state.

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Mess-UP

Files used to analyze Mess-UP force-field

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Mie-swf

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Nonlinear-Analysis

Codes used for determining the uncertainty in the regression parameters from GEMC.

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Postdoc_3

Publication focusing on a Bayesian inference analysis of the Mie potenial for high pressures.

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Special_Issue_FPE

Manuscript for Special Issue to Fluid Phase Equilibria due August 15th, 2018

Language:TeXGPL-3.0000