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Liquid chromatography quadrupole time-of-flight mass spectrometry characterization of metabolites guided by the METLIN database

Nature protocols, 2013-03, Vol.8 (3), p.451-460

2013

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Comprehensive high-precision high-accuracy equation of state and coexistence properties for classical Lennard-Jones crystals and low-temperature fluid phases

The Journal of chemical physics, 2018-11, Vol.149 (20), p.204508-204508

2018

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Methodical evaluation of Boyle temperatures using Mayer sampling Monte Carlo with application to polymers in implicit solvent

The Journal of chemical physics, 2024-10, Vol.161 (15)

2024

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Generational Politics in the United States: From the Silents to Gen Z and Beyond

2024

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Virial equation of state as a new frontier for computational chemistry

The Journal of chemical physics, 2022-11, Vol.157 (19), p.190901-190901

2022

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Harmonic Oscillator Staging Coordinates for Efficient Path Integral Simulations of Quantum Oscillators and Crystals

Journal of chemical theory and computation, 2024-08, Vol.20 (16), p.7315

2024

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Respiratory syncytial virus-associated hospitalizations among children less than 24 months of age

Pediatrics (Evanston), 2013-08, Vol.132 (2), p.e341-e348

2013

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Reproductive strategy of Delta Smelt Hypomesus transpacificus and impacts of drought on reproductive performance

PloS one, 2022-03, Vol.17 (3), p.e0264731-e0264731

2022

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Coupled Monte Carlo and Molecular Dynamics Simulations on Interfacial Properties of Antifouling Polymer Membranes

The journal of physical chemistry. B, 2021-07, Vol.125 (29), p.8193-8204

2021

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Efficient single-run implementation of generalized Einstein relation to compute transport coefficients: A binary-based time sampling

The Journal of chemical physics, 2024-01, Vol.160 (2)

2024

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Lipid production in Nannochloropsis gaditana is doubled by decreasing expression of a single transcriptional regulator

Nature biotechnology, 2017-07, Vol.35 (7), p.647-652

2017

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Speed of Sound in Helium‑4 from Ab Initio Acoustic Virial Coefficients

Journal of chemical and engineering data, 2021-08, Vol.66 (8), p.3258-3281

2021

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Force-sampling methods for density distributions as instances of mapped averaging

Molecular physics, 2019-10, Vol.117 (20), p.2822-2829

2019

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Virial Coefficients of Helium‑4 from Ab Initio-Based Molecular Models

Journal of chemical and engineering data, 2019-09, Vol.64 (9), p.3742-3754

2019

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Erratum: “Comprehensive high-precision high-accuracy equation of state and coexistence properties for classical Lennard-Jones crystals and low-temperature fluid phases” [J. Chem. Phys. 149, 204508 (2018)]

The Journal of chemical physics, 2020-08, Vol.153 (5), p.059901-059901

2020

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Evaluation of Osmotic Virial Coefficients via Restricted Gibbs Ensemble Simulations, with Support from Gas-Phase Mixture Coefficients

The journal of physical chemistry. B, 2021-07, Vol.125 (26), p.7262-7272

2021

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A deep neural network model for packing density predictions and its application in the study of 1.5 million organic molecules

Chemical science (Cambridge), 2019-09, Vol.1 (36), p.8374-8383

2019

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The health and condition responses of Delta Smelt to fasting: A time series experiment

PloS one, 2020-09, Vol.15 (9), p.e0239358-e0239358

2020

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Eighth to sixteenth virial coefficients of the Lennard-Jones model

The Journal of chemical physics, 2015-07, Vol.143 (4), p.044504-044504

2015

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Properties of supercritical N2, O2, CO2, and NH3 mixtures from the virial equation of state

AIChE journal, 2021-03, Vol.67 (3), p.n/a

2021

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Fifth to eleventh virial coefficients of hard spheres

Physical review. E, Statistical, nonlinear, and soft matter physics, 2014-08, Vol.90 (2), p.023301-023301, Article 023301

2014

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Application of the interface potential approach for studying wetting behavior within a molecular dynamics framework

The Journal of chemical physics, 2019-05, Vol.150 (20), p.204118-204118

2019

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Implementation of harmonically mapped averaging in LAMMPS, and effect of potential truncation on anharmonic properties

The Journal of chemical physics, 2020-01, Vol.152 (1), p.014107-014107

2020

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Construction of the interface potential from a series of canonical ensemble simulations

The Journal of chemical physics, 2019-07, Vol.151 (4), p.044103-044103

2019

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Effects of thermostatting in molecular dynamics on anharmonic properties of crystals: Application to fcc Al at high pressure and temperature

The Journal of chemical physics, 2018-09, Vol.149 (12), p.124109-124109

2018

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Liquid chromatography quadrupole time-of-flight mass spectrometry characterization of metabolites guided by the METLIN database

Comprehensive high-precision high-accuracy equation of state and coexistence properties for classical Lennard-Jones crystals and low-temperature fluid phases

Methodical evaluation of Boyle temperatures using Mayer sampling Monte Carlo with application to polymers in implicit solvent

Generational Politics in the United States: From the Silents to Gen Z and Beyond

Virial equation of state as a new frontier for computational chemistry

Harmonic Oscillator Staging Coordinates for Efficient Path Integral Simulations of Quantum Oscillators and Crystals

Respiratory syncytial virus-associated hospitalizations among children less than 24 months of age

Reproductive strategy of Delta Smelt Hypomesus transpacificus and impacts of drought on reproductive performance

Coupled Monte Carlo and Molecular Dynamics Simulations on Interfacial Properties of Antifouling Polymer Membranes

Efficient single-run implementation of generalized Einstein relation to compute transport coefficients: A binary-based time sampling

Lipid production in Nannochloropsis gaditana is doubled by decreasing expression of a single transcriptional regulator

Speed of Sound in Helium‑4 from Ab Initio Acoustic Virial Coefficients

Force-sampling methods for density distributions as instances of mapped averaging

Virial Coefficients of Helium‑4 from Ab Initio-Based Molecular Models

Erratum: “Comprehensive high-precision high-accuracy equation of state and coexistence properties for classical Lennard-Jones crystals and low-temperature fluid phases” [J. Chem. Phys. 149, 204508 (2018)]

Evaluation of Osmotic Virial Coefficients via Restricted Gibbs Ensemble Simulations, with Support from Gas-Phase Mixture Coefficients

A deep neural network model for packing density predictions and its application in the study of 1.5 million organic molecules

The health and condition responses of Delta Smelt to fasting: A time series experiment

Eighth to sixteenth virial coefficients of the Lennard-Jones model

Properties of supercritical N2, O2, CO2, and NH3 mixtures from the virial equation of state

Fifth to eleventh virial coefficients of hard spheres

Application of the interface potential approach for studying wetting behavior within a molecular dynamics framework

Implementation of harmonically mapped averaging in LAMMPS, and effect of potential truncation on anharmonic properties

Construction of the interface potential from a series of canonical ensemble simulations

Effects of thermostatting in molecular dynamics on anharmonic properties of crystals: Application to fcc Al at high pressure and temperature

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