List of works - Nicholas E Jackson

A Diversified Machine Learning Strategy for Predicting and Understanding Molecular Melting Points

scholarly article published 30 September 2019

A Diversified Machine Learning Strategy for Predicting and Understanding Molecular Melting Points

scientific article published on 30 September 2019

A Simple Index for Characterizing Charge Transport in Molecular Materials.

scientific article published on 6 March 2015

A machine learning workflow for molecular analysis: application to melting points

scientific article published on 23 June 2020

A n-vector model for charge transport in molecular semiconductors

scientific article published in November 2016

Accessing the Electronic Structure of Liquid Crystalline Semiconductors with Bottom-Up Electronic Coarse-Graining

scientific article published on 18 December 2023

Aggregation and Solubility of a Model Conjugated Donor-Acceptor Polymer

scientific article published on 09 August 2018

Assessing Molecular Doping Efficiency in Organic Semiconductors with Reactive Monte Carlo

scientific article published on 17 January 2024

Assessing molecular doping efficiency in organic semiconductors with reactive Monte Carlo

scientific article published on 11 March 2024

Automated Development of Molten Salt Machine Learning Potentials: Application to LiCl

scientific article published on 28 April 2021

Automated Development of Molten Salt Machine Learning Potentials: Application to LiCl

Boron Subphthalocyanine Based Molecular Triad Systems for the Capture of Solar Energy.

scientific article published on 6 September 2016

Bringing Quantum Mechanics to Coarse-Grained Soft Materials Modeling

scientific article published on 29 December 2022

Bypassing Backmapping: Coarse-Grained Electronic Property Distributions Using Heteroscedastic Gaussian Processes

scientific article published in 2022

Bypassing Backmapping: Coarse-Grained Electronic Property Distributions Using Heteroscedastic Gaussian Processes

scientific article published on 30 May 2022

Charge transport network dynamics in molecular aggregates

scientific article published on 20 July 2016

Closed-loop transfer enables artificial intelligence to yield chemical knowledge

scientific article published in 2024

Coarse-Grained Density Functional Theory Predictions via Deep Kernel Learning

scientific article published on 12 January 2022

Coarse-Grained Density Functional Theory Predictions via Deep Kernel Learning

scientific article published on 6 October 2021

Coarse-Graining Organic Semiconductors: The Path to Multiscale Design

scientific article published on 28 December 2020

Composition-transferable machine learning potential for LiCl-KCl molten salts validated by high-energy x-ray diffraction

scientific article published on 22 July 2022

Conformational order in aggregates of conjugated polymers.

scientific article published on 7 May 2015

Controlling conformations of conjugated polymers and small molecules: the role of nonbonding interactions.

scientific article published on 9 July 2013

Distilling Coarse-Grained Representations of Molecular Electronic Structure with Continuously Gated Message Passing

scientific article published on 3 October 2023

Effects of electronic and nuclear interactions on the excited-state properties and structural dynamics of copper(I) diimine complexes

scientific article

Electron and Ion Transport in Semi-Dilute Conjugated Polyelectrolytes: View from a Quantum-Mechanically Informed Coarse-Grained Model

scientific article published on 3 January 2023

Electronic structure at coarse-grained resolutions from supervised machine learning

scientific article published on 22 March 2019

Exciton Absorption Spectra by Linear Response Methods: Application to Conjugated Polymers

scientific article published on 22 February 2017

Exploring Thermoset Fracture with a Quantum Chemically Accurate Model of Bond Scission

scientific article published on 13 February 2024

Fast and accurate modeling of thermoset fracture by active learning quantum-chemical bond scission

scientific article published in November 2023

Identifying Coarse-Grained Representations for Electronic Predictions

scientific article published on 27 April 2023

Imaging ultrafast excited state pathways in transition metal complexes by X-ray transient absorption and scattering using X-ray free electron laser source

scientific article published on 14 September 2016

In Situ GIWAXS Analysis of Solvent and Additive Effects on PTB7 Thin Film Microstructure Evolution during Spin Coating

scientific article published on 9 October 2017

Influence of Vapor Deposition on Structural and Charge Transport Properties of Ethylbenzene Films

scientific article

Layered nested Markov chain Monte Carlo

scientific article published on 01 August 2018

Machine learning quantum-chemical bond scission in thermosets under extreme deformation

scientific article published on 13 March 2023

Mesoscale molecular network formation in amorphous organic materials

scientific article

Mesoscopic features of charge generation in organic semiconductors

scientific article published on 22 July 2014

Modeling the Interplay of Conformational and Electronic Structure in Conjugated Polyelectrolytes

scientific article published on 3 January 2022

Modeling the Interplay of Conformational and Electronic Structure in Conjugated Polyelectrolytes

Multivalent counterions diminish the lubricity of polyelectrolyte brushes

scientific article published on 01 June 2018

Multivalent ions induce lateral structural inhomogeneities in polyelectrolyte brushes.

scientific article published on 8 December 2017

Open Macromolecular Genome: Generative Design of Synthetically Accessible Polymers

scientific article published on 9 August 2023

Open Macromolecular Genome: Generative Design of Synthetically Accessible Polymers

scientific article published on 24 January 2023

Origin of Anisotropic Molecular Packing in Vapor-Deposited Alq3 Glasses

scientific article published on 31 December 2018

Over what length scale does an inorganic substrate perturb the structure of a glassy organic semiconductor?

scientific article published on 13 May 2020

Reassessing the use of one-electron energetics in the design and characterization of organic photovoltaics

scientific article published on 01 April 2013

Recent advances in machine learning towards multiscale soft materials design

scientific article published in March 2019

Ring-fusion as a perylenediimide dimer design concept for high-performance non-fullerene organic photovoltaic acceptors.

scientific article published on 9 February 2016

Solubility of nonelectrolytes: a first-principles computational approach

scientific article published on 05 May 2014

Spatiotemporal Formation Kinetics of Polyelectrolyte Complex Micelles with Millisecond Resolution

scientific article published on 27 July 2020

Structural Correlations and Percolation in Twisted Perylene Diimides using a Simple Anisotropic Coarse-Grained Model

scientific article published on 20 November 2018

Targeted sequence design within the coarse-grained polymer genome

scientific article published on 21 October 2020

The Next Breakthrough for Organic Photovoltaics?

scientific article published on 15 December 2014

Ultrafast Excited State Relaxation of a Metalloporphyrin Revealed by Femtosecond X-ray Absorption Spectroscopy

scientific article published on 10 June 2016

Ultrafast structural dynamics of Cu(I)-bicinchoninic acid and their implications for solar energy applications

scientific article

List of works by Nicholas E Jackson

A Diversified Machine Learning Strategy for Predicting and Understanding Molecular Melting Points

A Diversified Machine Learning Strategy for Predicting and Understanding Molecular Melting Points

A Simple Index for Characterizing Charge Transport in Molecular Materials.

A machine learning workflow for molecular analysis: application to melting points

A n-vector model for charge transport in molecular semiconductors

Accessing the Electronic Structure of Liquid Crystalline Semiconductors with Bottom-Up Electronic Coarse-Graining

Aggregation and Solubility of a Model Conjugated Donor-Acceptor Polymer

Assessing Molecular Doping Efficiency in Organic Semiconductors with Reactive Monte Carlo

Assessing molecular doping efficiency in organic semiconductors with reactive Monte Carlo

Automated Development of Molten Salt Machine Learning Potentials: Application to LiCl

Automated Development of Molten Salt Machine Learning Potentials: Application to LiCl

Boron Subphthalocyanine Based Molecular Triad Systems for the Capture of Solar Energy.

Bringing Quantum Mechanics to Coarse-Grained Soft Materials Modeling

Bypassing Backmapping: Coarse-Grained Electronic Property Distributions Using Heteroscedastic Gaussian Processes

Bypassing Backmapping: Coarse-Grained Electronic Property Distributions Using Heteroscedastic Gaussian Processes

Charge transport network dynamics in molecular aggregates

Closed-loop transfer enables artificial intelligence to yield chemical knowledge

Coarse-Grained Density Functional Theory Predictions via Deep Kernel Learning

Coarse-Grained Density Functional Theory Predictions via Deep Kernel Learning

Coarse-Grained Density Functional Theory Predictions via Deep Kernel Learning

Coarse-Graining Organic Semiconductors: The Path to Multiscale Design

Composition-transferable machine learning potential for LiCl-KCl molten salts validated by high-energy x-ray diffraction

Conformational order in aggregates of conjugated polymers.

Controlling conformations of conjugated polymers and small molecules: the role of nonbonding interactions.

Distilling Coarse-Grained Representations of Molecular Electronic Structure with Continuously Gated Message Passing

Effects of electronic and nuclear interactions on the excited-state properties and structural dynamics of copper(I) diimine complexes

Electron and Ion Transport in Semi-Dilute Conjugated Polyelectrolytes: View from a Quantum-Mechanically Informed Coarse-Grained Model

Electronic structure at coarse-grained resolutions from supervised machine learning

Exciton Absorption Spectra by Linear Response Methods: Application to Conjugated Polymers

Exploring Thermoset Fracture with a Quantum Chemically Accurate Model of Bond Scission

Fast and accurate modeling of thermoset fracture by active learning quantum-chemical bond scission

Identifying Coarse-Grained Representations for Electronic Predictions

Imaging ultrafast excited state pathways in transition metal complexes by X-ray transient absorption and scattering using X-ray free electron laser source

In Situ GIWAXS Analysis of Solvent and Additive Effects on PTB7 Thin Film Microstructure Evolution during Spin Coating

Influence of Vapor Deposition on Structural and Charge Transport Properties of Ethylbenzene Films

Layered nested Markov chain Monte Carlo

Machine learning quantum-chemical bond scission in thermosets under extreme deformation

Mesoscale molecular network formation in amorphous organic materials

Mesoscopic features of charge generation in organic semiconductors

Modeling the Interplay of Conformational and Electronic Structure in Conjugated Polyelectrolytes

Modeling the Interplay of Conformational and Electronic Structure in Conjugated Polyelectrolytes

Multivalent counterions diminish the lubricity of polyelectrolyte brushes

Multivalent ions induce lateral structural inhomogeneities in polyelectrolyte brushes.

Open Macromolecular Genome: Generative Design of Synthetically Accessible Polymers

Open Macromolecular Genome: Generative Design of Synthetically Accessible Polymers

Origin of Anisotropic Molecular Packing in Vapor-Deposited Alq3 Glasses

Over what length scale does an inorganic substrate perturb the structure of a glassy organic semiconductor?

Reassessing the use of one-electron energetics in the design and characterization of organic photovoltaics

Recent advances in machine learning towards multiscale soft materials design

Ring-fusion as a perylenediimide dimer design concept for high-performance non-fullerene organic photovoltaic acceptors.

Solubility of nonelectrolytes: a first-principles computational approach

Spatiotemporal Formation Kinetics of Polyelectrolyte Complex Micelles with Millisecond Resolution

Structural Correlations and Percolation in Twisted Perylene Diimides using a Simple Anisotropic Coarse-Grained Model

Targeted sequence design within the coarse-grained polymer genome

The Next Breakthrough for Organic Photovoltaics?

Ultrafast Excited State Relaxation of a Metalloporphyrin Revealed by Femtosecond X-ray Absorption Spectroscopy

Ultrafast structural dynamics of Cu(I)-bicinchoninic acid and their implications for solar energy applications