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ChIMES: A Force Matched Potential with Explicit Three-Body Interactions for Molten Carbon

Journal of chemical theory and computation, 2017-12, Vol.13 (12), p.6222-6229

2017

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Adolescent social media use and mental health from adolescent and parent perspectives

Journal of adolescence (London, England.), 2017-12, Vol.61 (1), p.1-11

2017

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Enhancing the accuracy of density functional tight binding models through ChIMES many-body interaction potentials

The Journal of chemical physics, 2023-04, Vol.158 (14), p.144112-144112

2023

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Synthesis of functionalized nitrogen-containing polycyclic aromatic hydrocarbons and other prebiotic compounds in impacting glycine solutions

Chemical science (Cambridge), 2019-06, Vol.1 (24), p.691-698

2019

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Chemistry-mediated Ostwald ripening in carbon-rich C/O systems at extreme conditions

Nature communications, 2022-03, Vol.13 (1), p.1424-1424, Article 1424

2022

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Active learning for robust, high-complexity reactive atomistic simulations

The Journal of chemical physics, 2020-10, Vol.153 (13), p.134117-134117

2020

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United atom and coarse grained models for crosslinked polydimethylsiloxane with applications to the rheology of silicone fluids

Physical chemistry chemical physics : PCCP, 2023-03, Vol.25 (13), p.9669-9684

2023

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Investigating 3,4-bis(3-nitrofurazan-4-yl)furoxan detonation with a rapidly tuned density functional tight binding model

The Journal of chemical physics, 2021-04, Vol.154 (16), p.164115-164115

2021

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Ultrafast shock synthesis of nanocarbon from a liquid precursor

Nature communications, 2020-01, Vol.11 (1), p.353-353, Article 353

2020

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Protective Factors Against Distress for Caregivers of a Child with Autism Spectrum Disorder

Journal of autism and developmental disorders, 2018-04, Vol.48 (4), p.1092-1107

2018

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High-Accuracy Semiempirical Quantum Models Based on a Minimal Training Set

The journal of physical chemistry letters, 2022-04, Vol.13 (13), p.2934-2942

2022

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Many-body reactive force field development for carbon condensation in C/O systems under extreme conditions

The Journal of chemical physics, 2020-08, Vol.153 (5), p.054103-054103

2020

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Multiplex polymerase chain reaction for identification of Escherichia coli, Escherichia albertii and Escherichia fergusonii

Journal of microbiological methods, 2017-09, Vol.140, p.1-4

2017

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Application of the ChIMES Force Field to Nonreactive Molecular Systems: Water at Ambient Conditions

Journal of chemical theory and computation, 2019-01, Vol.15 (1), p.436-447

2019

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The Relation of Parental Expressed Emotion, Parental Affiliate Stigma, and Typically-developing Sibling Internalizing Behavior in Families with a Child with ASD

Journal of autism and developmental disorders, 2023-12, Vol.53 (12), p.4591-4603

2023

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Calculation of the detonation state of HN3 with quantum accuracy

The Journal of chemical physics, 2020-12, Vol.153 (22), p.224102-224102

2020

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Development of a Multicenter Density Functional Tight Binding Model for Plutonium Surface Hydriding

Journal of chemical theory and computation, 2018-05, Vol.14 (5), p.2652-2660

2018

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Implementation of Whole Genome Sequencing (WGS) for Identification and Characterization of Shiga Toxin-Producing Escherichia coli (STEC) in the United States

Frontiers in microbiology, 2016-05, Vol.7, p.766-766

2016

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Molecular simulation studies of reversed-phase liquid chromatography

Journal of Chromatography A, 2013-04, Vol.1287, p.60-82

2013

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Chemical evolution in nitrogen shocked beyond the molecular stability limit

The Journal of chemical physics, 2023-08, Vol.159 (8)

2023

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Semi-Automated Creation of Density Functional Tight Binding Models through Leveraging Chebyshev Polynomial-Based Force Fields

Journal of chemical theory and computation, 2021-07, Vol.17 (7), p.4435-4448

2021

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Reoccurring Escherichia coli O157:H7 Strain Linked to Leafy Greens–Associated Outbreaks, 2016–2019

Emerging infectious diseases, 2023-09, Vol.29 (9), p.1895-1899

2023

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Use of Whole Genome Sequencing by the Federal Interagency Collaboration for Genomics for Food and Feed Safety in the United States

Journal of food protection, 2022-05, Vol.85 (5), p.755-772

2022

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Demonstrating resonant ultrasound spectroscopy as a viable technique to characterize thermally conditioned high explosive materials

Journal of applied physics, 2024-01, Vol.135 (3)

2024

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Machine‐Learning a Solution for Reactive Atomistic Simulations of Energetic Materials

Propellants, explosives, pyrotechnics, 2022-08, Vol.47 (8), p.n/a

2022

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1 – 25 von 1.016

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ChIMES: A Force Matched Potential with Explicit Three-Body Interactions for Molten Carbon

Adolescent social media use and mental health from adolescent and parent perspectives

Enhancing the accuracy of density functional tight binding models through ChIMES many-body interaction potentials

Synthesis of functionalized nitrogen-containing polycyclic aromatic hydrocarbons and other prebiotic compounds in impacting glycine solutions

Chemistry-mediated Ostwald ripening in carbon-rich C/O systems at extreme conditions

Active learning for robust, high-complexity reactive atomistic simulations

United atom and coarse grained models for crosslinked polydimethylsiloxane with applications to the rheology of silicone fluids

Investigating 3,4-bis(3-nitrofurazan-4-yl)furoxan detonation with a rapidly tuned density functional tight binding model

Ultrafast shock synthesis of nanocarbon from a liquid precursor

Protective Factors Against Distress for Caregivers of a Child with Autism Spectrum Disorder

High-Accuracy Semiempirical Quantum Models Based on a Minimal Training Set

Many-body reactive force field development for carbon condensation in C/O systems under extreme conditions

Multiplex polymerase chain reaction for identification of Escherichia coli, Escherichia albertii and Escherichia fergusonii

Application of the ChIMES Force Field to Nonreactive Molecular Systems: Water at Ambient Conditions

The Relation of Parental Expressed Emotion, Parental Affiliate Stigma, and Typically-developing Sibling Internalizing Behavior in Families with a Child with ASD

Calculation of the detonation state of HN3 with quantum accuracy

Development of a Multicenter Density Functional Tight Binding Model for Plutonium Surface Hydriding

Implementation of Whole Genome Sequencing (WGS) for Identification and Characterization of Shiga Toxin-Producing Escherichia coli (STEC) in the United States

Molecular simulation studies of reversed-phase liquid chromatography

Chemical evolution in nitrogen shocked beyond the molecular stability limit

Semi-Automated Creation of Density Functional Tight Binding Models through Leveraging Chebyshev Polynomial-Based Force Fields

Reoccurring Escherichia coli O157:H7 Strain Linked to Leafy Greens–Associated Outbreaks, 2016–2019

Use of Whole Genome Sequencing by the Federal Interagency Collaboration for Genomics for Food and Feed Safety in the United States

Demonstrating resonant ultrasound spectroscopy as a viable technique to characterize thermally conditioned high explosive materials

Machine‐Learning a Solution for Reactive Atomistic Simulations of Energetic Materials

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