List of works - Benjamin J. Schwartz

A computationally efficient exact pseudopotential method. I. Analytic reformulation of the Phillips-Kleinman theory.

scientific article published in August 2006

A computationally efficient exact pseudopotential method. II. Application to the molecular pseudopotential of an excess electron interacting with tetrahydrofuran (THF).

scientific article

Activation of snap-top capped mesoporous silica nanocontainers using two near-infrared photons

scientific article published on 17 September 2013

Comment on "An electron-water pseudopotential for condensed phase simulation" [J. Chem. Phys. 86, 3462 (1987)]

scientific article published on 01 July 2009

Conjugated polymers as molecular materials: how chain conformation and film morphology influence energy transfer and interchain interactions

scientific article published on 21 March 2002

Conjugated polymers as solid-state laser materials

Conjugated polymers: what makes a chromophore?

scientific article published on 01 June 2008

Control of energy transfer in oriented conjugated polymer-mesoporous silica composites

scientific article published on April 2000

Controlling optical gain in semiconducting polymers with nanoscale chain positioning and alignment

scientific article published on 16 September 2007

Crystal-packing trends for a series of 6,9,12,15,18-pentaaryl-1-hydro[60]fullerenes

scientific article published on 9 May 2012

Crystallinity Effects in Sequentially Processed and Blend-Cast Bulk-Heterojunction Polymer/Fullerene Photovoltaics

Dodecaborane-Based Dopants Designed to Shield Anion Electrostatics Lead to Increased Carrier Mobility in a Doped Conjugated Polymer

scientific article published on 23 January 2019

Does the hydrated electron occupy a cavity?

scientific article published in July 2010

Dopant-Induced Ordering of Amorphous Regions in Regiorandom P3HT

scientific article published on 14 August 2019

Driving Force and Optical Signatures of Bipolaron Formation in Chemically Doped Conjugated Polymers

scientific article published on 09 December 2020

Elucidating the initial dynamics of electron photodetachment from atoms in liquids using variably-time-delayed resonant multiphoton ionization

scientific article

Erratum: "Temperature dependence of the hydrated electron's excited-state relaxation. II. Elucidating the relaxation mechanism through ultrafast transient absorption and stimulated emission spectroscopy" [J. Chem. Phys. 147, 074504 (2017)].

scientific article published in October 2017

Evaluating Simple Ab Initio Models of the Hydrated Electron: The Role of Dynamical Fluctuations

scientific article published on 20 October 2020

Exploring the role of decoherence in condensed-phase nonadiabatic dynamics: a comparison of different mixed quantum/classical simulation algorithms for the excited hydrated electron

scientific article published in October 2006

Extensive Penetration of Evaporated Electrode Metals into Fullerene Films: Intercalated Metal Nanostructures and Influence on Device Architecture

scientific article published on 21 October 2015

First principles multielectron mixed quantum/classical simulations in the condensed phase. I. An efficient Fourier-grid method for solving the many-electron problem.

scientific article

First principles multielectron mixed quantum/classical simulations in the condensed phase. II. The charge-transfer-to-solvent states of sodium anions in liquid tetrahydrofuran.

scientific article published in April 2010

Free Energies of Cavity and Noncavity Hydrated Electrons Near the Instantaneous Air/Water Interface

scientific article published in August 2016

Free Energies of Quantum Particles: The Coupled-Perturbed Quantum Umbrella Sampling Method

scientific article published in October 2014

Full configuration interaction computer simulation study of the thermodynamic and kinetic stability of hydrated dielectrons

scientific article published in January 2006

Going beyond the frozen core approximation: development of coordinate-dependent pseudopotentials and application to Na2(+).

scientific article published in February 2013

Highly photoluminescent conjugated polymers: stimulated emission and device applications

Hydrated electrons as a probe of local anisotropy: Simulations of ultrafast polarization-dependent spectral hole burning

scientific article published on 01 May 1994

Improving the Reproducibility of P3HT:PCBM Solar Cells by Controlling the PCBM/Cathode Interface

Laser emission from solutions and films containing semiconducting polymer and titanium dioxide nanocrystals

scholarly article by Fumitomo Hide et al published July 1996 in Chemical Physics Letters

Light emission from semiconducting polymers: LEDs, lasers, and white light for the future

scholarly article published 1 December 1997

Linear response breakdown in solvation dynamics induced by atomic electron-transfer reactions

scientific article

Manipulating the production and recombination of electrons during electron transfer: Femtosecond control of the charge-transfer-to-solvent (CTTS) dynamics of the sodium anion.

scientific article

Mean-field dynamics with stochastic decoherence (MF-SD): a new algorithm for nonadiabatic mixed quantum/classical molecular-dynamics simulations with nuclear-induced decoherence.

scientific article published in December 2005

Moving solvated electrons with light: nonadiabatic mixed quantum/classical molecular dynamics simulations of the relocalization of photoexcited solvated electrons in tetrahydrofuran (THF).

scientific article

Nature of Excess Electrons in Polar Fluids: Anion-Solvated Electron Equilibrium and Polarized Hole-Burning in Liquid Acetonitrile.

scientific article published on 16 April 2013

Nature of sodium atoms/(Na(+), e(-)) contact pairs in liquid tetrahydrofuran

scientific article published on September 2010

New Developments in the Photonic Applications of Conjugated Polymers

New stygofauna from Texas, USA: three new species of Parabathynellidae (Crustacea: Bathynellacea)

scholarly article published in 2021

Nonadiabatic molecular dynamics simulations of correlated electrons in solution. 1. Full configuration interaction (CI) excited-state relaxation dynamics of hydrated dielectrons

scientific article published in May 2006

Nonadiabatic molecular dynamics simulations of correlated electrons in solution. 2. A prediction for the observation of hydrated dielectrons with pump-probe spectroscopy

scientific article published in May 2006

Nonequilibrium Solvent Effects during Photodissociation in Liquids: Dynamical Energy Surfaces, Caging, and Chemical Identity

scientific article published on 16 October 2020

Observation of stimulated emission and ultrafast transient absorption dynamics from a novel alkyl-substituted PPV

scientific article published in January 1997

Overcoming Film Quality Issues for Conjugated Polymers Doped with F4TCNQ by Solution Sequential Processing: Hall Effect, Structural, and Optical Measurements.

scientific article published on 10 November 2015

POLARON DYNAMICS. Long-lived photoinduced polaron formation in conjugated polyelectrolyte-fullerene assemblies

scientific article published in June 2015

Photo-redox activated drug delivery systems operating under two photon excitation in the near-IR.

scientific article published in May 2014

Phthalocyanine−Azacrown−Fullerene Multicomponent System: Synthesis, Photoinduced Processes, and Electrochemistry#

article by Ángela Sastre et al published December 1999 in Organic Letters

Plastic lasers: Semiconducting polymers as a new class of solid-state laser materials

Projections of quantum observables onto classical degrees of freedom in mixed quantum-classical simulations: understanding linear response failure for the photoexcited hydrated electron

scientific article published on 27 September 2006

Resonance Raman and temperature-dependent electronic absorption spectra of cavity and noncavity models of the hydrated electron ⬇️

scientific article published on February 4, 2013

Response to "Comment on 'Going beyond the frozen core approximation: development of coordinate-dependent pseudopotentials and application to Na2(+)'" [J. Chem. Phys. 139, 147101 (2013)].

scientific article published in October 2013

Searching for solvent cavities via electron photodetachment: the ultrafast charge-transfer-to-solvent dynamics of sodide in a series of ether solvents

scientific article published on October 2009

Second-harmonic generation in conjugated polymer films: A sensitive probe of how bulk polymer crystallinity changes with spin speed.

scientific article published in July 2010

Self-assembling fullerenes for improved bulk-heterojunction photovoltaic devices.

scientific article

Self-assembling semiconducting polymers--rods and gels from electronic materials.

scientific article

Short-Range Electron Correlation Stabilizes Noncavity Solvation of the Hydrated Electron.

scientific article published on 30 August 2016

Simulating the formation of sodium:electron tight-contact pairs: watching the solvation of atoms in liquids one molecule at a time.

scientific article published on 23 March 2011

Solvents can control solute molecular identity

scientific article published on 21 May 2018

Structure and Conductivity of Semiconducting Polymer Hydrogels

scientific article

Temperature dependence of the hydrated electron's excited-state relaxation. I. Simulation predictions of resonance Raman and pump-probe transient absorption spectra of cavity and non-cavity models

scientific article published on August 2017

Temperature dependence of the hydrated electron's excited-state relaxation. II. Elucidating the relaxation mechanism through ultrafast transient absorption and stimulated emission spectroscopy.

scientific article

The Effects of Crystallinity on Charge Transport and the Structure of Sequentially Processed F4TCNQ‐Doped Conjugated Polymer Films

scientific article from 2017

The Fluxional Nature of the Hydrated Electron: Energy and Entropy Contributions to Aqueous Electron Free Energies

scientific article published on 22 January 2020

The JPC Periodic Table

scientific article published on 01 July 2019

The JPC Periodic Table

article by George C. Schatz et al published 1 July 2019 in Journal of Physical Chemistry A

The JPC Periodic Table

scientific article published on 18 July 2019

The JPC Periodic Table

The Role of the Solvent in the Condensed-Phase Dynamics and Identity of Chemical Bonds: The Case of the Sodium Dimer Cation in THF

scientific article published on 30 June 2020

The role of copper in topa quinone biogenesis and catalysis, as probed by azide inhibition of a copper amine oxidase from yeast

scientific article published in March 2001

The role of solvent structure in the absorption spectrum of solvated electrons: mixed quantum/classical simulations in tetrahydrofuran

scientific article published in April 2005

The roles of electronic exchange and correlation in charge-transfer- to-solvent dynamics: Many-electron nonadiabatic mixed quantum/classical simulations of photoexcited sodium anions in the condensed phase.

scientific article

The roles of the solute and solvent cavities in charge-transfer-to-solvent dynamics: ultrafast studies of potasside and sodide in diethyl ether

scientific article published in October 2008

The structure of the hydrated electron. Part 2. A mixed quantum/classical molecular dynamics embedded cluster density functional theory: single-excitation configuration interaction study.

scientific article published on 27 May 2007

The ultrafast charge-transfer-to-solvent dynamics of iodide in tetrahydrofuran. 1. Exploring the roles of solvent and solute electronic structure in condensed-phase charge-transfer reactions

scientific article published on 18 December 2007

Thermal Equilibration Controls H-Bonding and the Vertical Detachment Energy of Water Cluster Anions

scientific article published on 28 August 2018

Three new microcerberids (Isopoda: Microcerberidae) from subterranean freshwater habitats in Texas, USA

scholarly article published in 2021

Time-Resolved Photoelectron Spectroscopy of the Hydrated Electron: Comparing Cavity and Noncavity Models to Experiment

scientific article

To be or not to be in a cavity: the hydrated electron dilemma

scientific article published on 25 October 2013

Tribute to Peter J. Rossky

scientific article published on 01 November 2020

Tunable Dopants with Intrinsic Counterion Separation Reveal the Effects of Electron Affinity on Dopant Intercalation and Free Carrier Production in Sequentially Doped Conjugated Polymer Films

scientific article published on 25 May 2020

Ultrafast Studies of Exciton Migration and Polaron Formation in Sequentially Solution-Processed Conjugated Polymer/Fullerene Quasi-Bilayer Photovoltaics

scientific article published on 6 August 2012

Ultrafast charge-transfer-to-solvent dynamics of iodide in tetrahydrofuran. 2. Photoinduced electron transfer to counterions in solution

scientific article published on 3 April 2008

Ultrafast studies of excess electrons in liquid acetonitrile: revisiting the solvated electron/solvent dimer anion equilibrium

scientific article

Ultrafast studies of stimulated emission and gain in solid films of conjugated polymers

scientific article published in February 1997

Ultrafast transient absorption spectroscopy of doped P3HT films: distinguishing free and trapped polarons

scientific article published on 01 July 2019

Understanding the Temperature Dependence and Finite Size Effects in Ab Initio MD Simulations of the Hydrated Electron

scientific article published on 14 July 2022

Watching Na atoms solvate into (Na+,e-) contact pairs: untangling the ultrafast charge-transfer-to-solvent dynamics of Na- in tetrahydrofuran (THF).

scientific article published on 25 May 2007

Watching the solvation of atoms in liquids one solvent molecule at a time

scientific article published on 11 June 2010

List of works by Benjamin J. Schwartz

A computationally efficient exact pseudopotential method. I. Analytic reformulation of the Phillips-Kleinman theory.

A computationally efficient exact pseudopotential method. II. Application to the molecular pseudopotential of an excess electron interacting with tetrahydrofuran (THF).

Activation of snap-top capped mesoporous silica nanocontainers using two near-infrared photons

Comment on "An electron-water pseudopotential for condensed phase simulation" [J. Chem. Phys. 86, 3462 (1987)]

Conjugated polymers as molecular materials: how chain conformation and film morphology influence energy transfer and interchain interactions

Conjugated polymers as solid-state laser materials

Conjugated polymers: what makes a chromophore?

Control of energy transfer in oriented conjugated polymer-mesoporous silica composites

Controlling optical gain in semiconducting polymers with nanoscale chain positioning and alignment

Crystal-packing trends for a series of 6,9,12,15,18-pentaaryl-1-hydro[60]fullerenes

Crystallinity Effects in Sequentially Processed and Blend-Cast Bulk-Heterojunction Polymer/Fullerene Photovoltaics

Dodecaborane-Based Dopants Designed to Shield Anion Electrostatics Lead to Increased Carrier Mobility in a Doped Conjugated Polymer

Does the hydrated electron occupy a cavity?

Dopant-Induced Ordering of Amorphous Regions in Regiorandom P3HT

Driving Force and Optical Signatures of Bipolaron Formation in Chemically Doped Conjugated Polymers

Elucidating the initial dynamics of electron photodetachment from atoms in liquids using variably-time-delayed resonant multiphoton ionization

Erratum: "Temperature dependence of the hydrated electron's excited-state relaxation. II. Elucidating the relaxation mechanism through ultrafast transient absorption and stimulated emission spectroscopy" [J. Chem. Phys. 147, 074504 (2017)].

Evaluating Simple Ab Initio Models of the Hydrated Electron: The Role of Dynamical Fluctuations

Exploring the role of decoherence in condensed-phase nonadiabatic dynamics: a comparison of different mixed quantum/classical simulation algorithms for the excited hydrated electron

Extensive Penetration of Evaporated Electrode Metals into Fullerene Films: Intercalated Metal Nanostructures and Influence on Device Architecture

First principles multielectron mixed quantum/classical simulations in the condensed phase. I. An efficient Fourier-grid method for solving the many-electron problem.

First principles multielectron mixed quantum/classical simulations in the condensed phase. II. The charge-transfer-to-solvent states of sodium anions in liquid tetrahydrofuran.

Free Energies of Cavity and Noncavity Hydrated Electrons Near the Instantaneous Air/Water Interface

Free Energies of Quantum Particles: The Coupled-Perturbed Quantum Umbrella Sampling Method

Full configuration interaction computer simulation study of the thermodynamic and kinetic stability of hydrated dielectrons

Going beyond the frozen core approximation: development of coordinate-dependent pseudopotentials and application to Na2(+).

Highly photoluminescent conjugated polymers: stimulated emission and device applications

Hydrated electrons as a probe of local anisotropy: Simulations of ultrafast polarization-dependent spectral hole burning

Improving the Reproducibility of P3HT:PCBM Solar Cells by Controlling the PCBM/Cathode Interface

Laser emission from solutions and films containing semiconducting polymer and titanium dioxide nanocrystals

Light emission from semiconducting polymers: LEDs, lasers, and white light for the future

Linear response breakdown in solvation dynamics induced by atomic electron-transfer reactions

Manipulating the production and recombination of electrons during electron transfer: Femtosecond control of the charge-transfer-to-solvent (CTTS) dynamics of the sodium anion.

Mean-field dynamics with stochastic decoherence (MF-SD): a new algorithm for nonadiabatic mixed quantum/classical molecular-dynamics simulations with nuclear-induced decoherence.

Moving solvated electrons with light: nonadiabatic mixed quantum/classical molecular dynamics simulations of the relocalization of photoexcited solvated electrons in tetrahydrofuran (THF).

Nature of Excess Electrons in Polar Fluids: Anion-Solvated Electron Equilibrium and Polarized Hole-Burning in Liquid Acetonitrile.

Nature of sodium atoms/(Na(+), e(-)) contact pairs in liquid tetrahydrofuran

New Developments in the Photonic Applications of Conjugated Polymers

New stygofauna from Texas, USA: three new species of Parabathynellidae (Crustacea: Bathynellacea)

Nonadiabatic molecular dynamics simulations of correlated electrons in solution. 1. Full configuration interaction (CI) excited-state relaxation dynamics of hydrated dielectrons

Nonadiabatic molecular dynamics simulations of correlated electrons in solution. 2. A prediction for the observation of hydrated dielectrons with pump-probe spectroscopy

Nonequilibrium Solvent Effects during Photodissociation in Liquids: Dynamical Energy Surfaces, Caging, and Chemical Identity

Observation of stimulated emission and ultrafast transient absorption dynamics from a novel alkyl-substituted PPV

Overcoming Film Quality Issues for Conjugated Polymers Doped with F4TCNQ by Solution Sequential Processing: Hall Effect, Structural, and Optical Measurements.

POLARON DYNAMICS. Long-lived photoinduced polaron formation in conjugated polyelectrolyte-fullerene assemblies

Photo-redox activated drug delivery systems operating under two photon excitation in the near-IR.

Phthalocyanine−Azacrown−Fullerene Multicomponent System: Synthesis, Photoinduced Processes, and Electrochemistry#

Plastic lasers: Semiconducting polymers as a new class of solid-state laser materials

Projections of quantum observables onto classical degrees of freedom in mixed quantum-classical simulations: understanding linear response failure for the photoexcited hydrated electron

Resonance Raman and temperature-dependent electronic absorption spectra of cavity and noncavity models of the hydrated electron ⬇️

Response to "Comment on 'Going beyond the frozen core approximation: development of coordinate-dependent pseudopotentials and application to Na2(+)'" [J. Chem. Phys. 139, 147101 (2013)].

Searching for solvent cavities via electron photodetachment: the ultrafast charge-transfer-to-solvent dynamics of sodide in a series of ether solvents

Second-harmonic generation in conjugated polymer films: A sensitive probe of how bulk polymer crystallinity changes with spin speed.

Self-assembling fullerenes for improved bulk-heterojunction photovoltaic devices.

Self-assembling semiconducting polymers--rods and gels from electronic materials.

Short-Range Electron Correlation Stabilizes Noncavity Solvation of the Hydrated Electron.

Simulating the formation of sodium:electron tight-contact pairs: watching the solvation of atoms in liquids one molecule at a time.

Solvents can control solute molecular identity

Structure and Conductivity of Semiconducting Polymer Hydrogels

Temperature dependence of the hydrated electron's excited-state relaxation. I. Simulation predictions of resonance Raman and pump-probe transient absorption spectra of cavity and non-cavity models

Temperature dependence of the hydrated electron's excited-state relaxation. II. Elucidating the relaxation mechanism through ultrafast transient absorption and stimulated emission spectroscopy.

The Effects of Crystallinity on Charge Transport and the Structure of Sequentially Processed F4TCNQ‐Doped Conjugated Polymer Films

The Fluxional Nature of the Hydrated Electron: Energy and Entropy Contributions to Aqueous Electron Free Energies

The JPC Periodic Table

The JPC Periodic Table

The JPC Periodic Table

The JPC Periodic Table

The Role of the Solvent in the Condensed-Phase Dynamics and Identity of Chemical Bonds: The Case of the Sodium Dimer Cation in THF

The role of copper in topa quinone biogenesis and catalysis, as probed by azide inhibition of a copper amine oxidase from yeast

The role of solvent structure in the absorption spectrum of solvated electrons: mixed quantum/classical simulations in tetrahydrofuran

The roles of electronic exchange and correlation in charge-transfer- to-solvent dynamics: Many-electron nonadiabatic mixed quantum/classical simulations of photoexcited sodium anions in the condensed phase.

The roles of the solute and solvent cavities in charge-transfer-to-solvent dynamics: ultrafast studies of potasside and sodide in diethyl ether

The structure of the hydrated electron. Part 2. A mixed quantum/classical molecular dynamics embedded cluster density functional theory: single-excitation configuration interaction study.

The ultrafast charge-transfer-to-solvent dynamics of iodide in tetrahydrofuran. 1. Exploring the roles of solvent and solute electronic structure in condensed-phase charge-transfer reactions

Thermal Equilibration Controls H-Bonding and the Vertical Detachment Energy of Water Cluster Anions

Three new microcerberids (Isopoda: Microcerberidae) from subterranean freshwater habitats in Texas, USA

Time-Resolved Photoelectron Spectroscopy of the Hydrated Electron: Comparing Cavity and Noncavity Models to Experiment

To be or not to be in a cavity: the hydrated electron dilemma

Tribute to Peter J. Rossky