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Using Computationally-Determined Properties for Machine Learning Prediction of Self-Diffusion Coefficients in Pure Liquids

The journal of physical chemistry. B, 2021-12, Vol.125 (47), p.12990-13002

2021

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Impact of Hydration and Sulfonation on the Morphology and Ionic Conductivity of Sulfonated Poly(phenylene) Proton Exchange Membranes

Macromolecules, 2019-02, Vol.52 (3), p.857-876

2019

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Quantification of Uncoupled Spin Domains in Spin-Abundant Disordered Solids

International journal of molecular sciences, 2020-05, Vol.21 (11), p.3938

2020

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Transport Properties of Hydroxide and Proton Conducting Membranes

Chemistry of materials, 2008-04, Vol.20 (7), p.2566-2573

2008

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Heterogeneous Polymer Dynamics Explored Using Static 1H NMR Spectra

International journal of molecular sciences, 2020-07, Vol.21 (15), p.5176

2020

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Room Temperature Morphologies of Precise Acid- and Ion-Containing Polyethylenes

Macromolecules, 2013-11, Vol.46 (22), p.9003-9012

2013

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Computational and Experimental 1H-NMR Study of Hydrated Mg-Based Minerals

Molecules (Basel, Switzerland), 2020-02, Vol.25 (4), p.933

2020

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Alternative Approach to Increasing Li Mobility in Li-La-Nb/Ta Garnet Electrolytes

Chemistry of materials, 2010-10, Vol.22 (19), p.5401-5410

2010

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Morphological Trends in Precise Acid- and Ion-Containing Polyethylenes at Elevated Temperature

Macromolecules, 2013-11, Vol.46 (22), p.8995-9002

2013

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Pt–Mg, Pt–Ca, and Pt–Zn Lantern Complexes and Metal-Only Donor–Acceptor Interactions

Inorganic chemistry, 2017-01, Vol.56 (1), p.452-469

2017

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Computational Study of Microhydration in Sulfonated Diels–Alder Poly(phenylene) Polymers

The journal of physical chemistry. A, Molecules, spectroscopy, kinetics, environment, & general theory, 2018-04, Vol.122 (15), p.3927-3938

Alam, Todd M

2018

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Hydration and Hydroxylation of MgO in Solution: NMR Identification of Proton-Containing Intermediate Phases

ACS omega, 2019-01, Vol.4 (1), p.1033-1044

2019

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A General Synthetic Procedure for Heteropolyniobates

Science (American Association for the Advancement of Science), 2002-08, Vol.297 (5583), p.996-998

2002

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Modes of Disorder in Poly(carbon monofluoride)

Journal of the American Chemical Society, 2021-08, Vol.143 (30), p.11714-11733

2021

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Prediction of Self-Diffusion in Binary Fluid Mixtures Using Artificial Neural Networks

The journal of physical chemistry. B, 2022-06, Vol.126 (24), p.4555-4564

2022

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Computing the 7Li NMR chemical shielding of hydrated Li+ using cluster calculations and time-averaged configurations from ab initio molecular dynamics simulations

Physical chemistry chemical physics : PCCP, 2011-01, Vol.13 (30), p.13629-13637

2011

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Machine learning prediction of self-diffusion in Lennard-Jones fluids

The Journal of chemical physics, 2020-07, Vol.153 (3), p.034102-034102

2020

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Ab initio calculations of possible γ-gauche effects in the ¹³C-NMR for methine and carbonyl carbons in precise polyethylene acrylic acid copolymers

Molecules (Basel, Switzerland), 2013-07, Vol.18 (8), p.9010-9020

Alam, Todd M

2013

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Composites of (C4F)n and (CF)n Synthesized by Uncatalyzed Fluorination of Graphite

Solids, 2022-06, Vol.3 (2), p.237-257

2022

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Symbolic regression development of empirical equations for diffusion in Lennard-Jones fluids

The Journal of chemical physics, 2022-07, Vol.157 (1), p.014503-014503

2022

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Artificial neural network prediction of self-diffusion in pure compounds over multiple phase regimes

Physical chemistry chemical physics : PCCP, 2021-03, Vol.23 (8), p.4615-4623

2021

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Enhanced Water Purification: A Single Atom Makes a Difference

Environmental science & technology, 2009-07, Vol.43 (14), p.5416-5422

2009

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Machine Learning-Based Upscaling of Finite-Size Molecular Dynamics Diffusion Simulations for Binary Fluids

The journal of physical chemistry letters, 2020-12, Vol.11 (24), p.10375-10381

2020

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Machine Learning Self-Diffusion Prediction for Lennard-Jones Fluids in Pores

Journal of physical chemistry. C, 2021-11, Vol.125 (46), p.25898-25906

2021

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Reversible Hydrogen Storage by NaAlH4 Confined within a Titanium-Functionalized MOF-74(Mg) Nanoreactor

ACS nano, 2012-11, Vol.6 (11), p.9807-9817

2012

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Using Computationally-Determined Properties for Machine Learning Prediction of Self-Diffusion Coefficients in Pure Liquids

Impact of Hydration and Sulfonation on the Morphology and Ionic Conductivity of Sulfonated Poly(phenylene) Proton Exchange Membranes

Quantification of Uncoupled Spin Domains in Spin-Abundant Disordered Solids

Transport Properties of Hydroxide and Proton Conducting Membranes

Heterogeneous Polymer Dynamics Explored Using Static 1H NMR Spectra

Room Temperature Morphologies of Precise Acid- and Ion-Containing Polyethylenes

Computational and Experimental 1H-NMR Study of Hydrated Mg-Based Minerals

Alternative Approach to Increasing Li Mobility in Li-La-Nb/Ta Garnet Electrolytes

Morphological Trends in Precise Acid- and Ion-Containing Polyethylenes at Elevated Temperature

Pt–Mg, Pt–Ca, and Pt–Zn Lantern Complexes and Metal-Only Donor–Acceptor Interactions

Computational Study of Microhydration in Sulfonated Diels–Alder Poly(phenylene) Polymers

Hydration and Hydroxylation of MgO in Solution: NMR Identification of Proton-Containing Intermediate Phases

A General Synthetic Procedure for Heteropolyniobates

Modes of Disorder in Poly(carbon monofluoride)

Prediction of Self-Diffusion in Binary Fluid Mixtures Using Artificial Neural Networks

Computing the 7Li NMR chemical shielding of hydrated Li+ using cluster calculations and time-averaged configurations from ab initio molecular dynamics simulations

Machine learning prediction of self-diffusion in Lennard-Jones fluids

Ab initio calculations of possible γ-gauche effects in the ¹³C-NMR for methine and carbonyl carbons in precise polyethylene acrylic acid copolymers

Composites of (C4F)n and (CF)n Synthesized by Uncatalyzed Fluorination of Graphite

Symbolic regression development of empirical equations for diffusion in Lennard-Jones fluids

Artificial neural network prediction of self-diffusion in pure compounds over multiple phase regimes

Enhanced Water Purification: A Single Atom Makes a Difference

Machine Learning-Based Upscaling of Finite-Size Molecular Dynamics Diffusion Simulations for Binary Fluids

Machine Learning Self-Diffusion Prediction for Lennard-Jones Fluids in Pores

Reversible Hydrogen Storage by NaAlH4 Confined within a Titanium-Functionalized MOF-74(Mg) Nanoreactor

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