Publications

Polaritonic Chemistry using the Density Matrix Renormalization Group Method

Mikuláš Matoušek, Nam Vu, Niranjan Govind, Jonathan J. Foley IV, Libor Veis, arxiv , ( 29 Aug 2024 )

Perturbative analysis of the coherent state transformation in ab initio cavity quantum electrodynamics

Peyton Roden, Jonathan Foley, ChemRxiv , ( 23 Aug 2024 )

Comparing parameterized and self-consistent approaches to ab initio cavity quantum electrodynamics for electronic strong coupling

Ruby Manderna, Nam Vu, Jonathan Foley, ChemRxiv , ( 23 Aug 2024 )

Cavity Quantum Electrodynamics Complete Active Space Configuration Interaction Theory

Nam Vu*, Daniel Mejia-Rodriguez, Nicholas P. Bauman, Ajay Panyala, Erdal Mutlu, Niranjan Govind, and Jonathan J. Foley IV*, Journal of Chemical Theory and Computation , ( 30 Jan 2024 )

Correlating structure and photophysical properties in thiazolo[5,4-d]thiazole crystal derivatives for use in solid-state photonic and fluorescence-based optical devices

Abhishek Shibu, Sean Jones, P. Lane Tolley, David Diaz, Carly O. Kwiatkowski, Daniel S. Jones, Jessica M. Shivas, Jonathan J. Foley IV, Thomas A. Schmedake and Michael G. Walter , Materials Advances , ( 16 Oct 2023 )

Ab initio methods for polariton chemistry

PJonathan J. Foley IV, Jonathan F. McTague, A. Eugene DePrince III, Chem. Phys. Rev. , ( 02 Sep 2023 )

Embracing Modern SoftwareDevelopment Best Practices in an Undergraduate Research Setting: A Case Study with the WPTherml SoftwarePackage

Figen Suchanek,JamesVarner,Alyssa Lakatos,Jose Bello,Samar Soufanati,and Jonathan J. Foley IV*, ACS Publications , ( 21 Nov 2022 )

Deciphering the Optical Absorption Spectra of Ultrafine Metal Nanoparticles Dispersed on Submicron Silica Spheres

Qilin Wei, Matas Simukaitis, Siyu Wu, Jonathan J. Foley, IV, and Yugang Sun*, J. Phys. Chem. C , ( 18 Oct 2022 )

Non-Hermitian cavity quantum electrodynamics–configuration interaction singles approach for polaritonic structure with ab initio molecular Hamiltonians

Jonathan McTague and Jonathan J. Foley IVa, J. Phys. Chem. C , ( 18 Apr 2022 )

Synthetic Applications and Computational Perspectives on Eosin Y Induced Direct HAT Process

Joan Inoa Grecia Dominici Reem Eldabagh Jonathan J. Foley IV* Yalan Xing*, Thieme , ( 02 Aug 2021 )

Integrating Programming to Reinforce Quantum Mechanical Principles in Physical Chemistry

JDanfei Hu, Janet N. Ahn, Alyssa Lakatos, Jose Bello, Jonathan McTague, and Jonathan J. Foley IV*, ACS Publications , ( 27 Jul 2021 )

Dielectric Screening Modulates Semiconductor Nanoplatelet Excitons

JAshley J. Shin, Azmain A. Hossain, Stephanie M. Tenney, Xuanheng Tan, Lauren A. Tan, Jonathan J. Foley IV, Timothy L. Atallah*, and Justin R. Caram*, J. Phys. Chem. Lett. , ( 19 May 2021 )

Role of Cavity Losses on Nonadiabatic Couplings and Dynamics in Polaritonic Chemistry

Panayiota Antoniou, Figen Suchanek, James F. Varner, and Jonathan J. Foley IV, J. Phys. Chem. Lett. , ( 12 Oct 2020 )

Building capacity for undergraduate education and training in computational molecular science: A collaboration between the MERCURY consortium and the Molecular Sciences Software Institute

Ashley Ringer McDonald, Jessica A. Nash, Paul S. Nerenberg, K. Aurelia Ball, Olaseni Sode, Jonathan J. Foley IV, Theresa L. Windus, T. Daniel Crawford, Int. J. Quantum. Chem. , ( 04 Jul 2020 )

Accelerating the Discovery of Multilayer Nanostructures with Analytic Differentiation of the Transfer Matrix Equations

James F. Varner, Dayanara Wert, Aya Matari, Raghad Nofal, Jonathan J. Foley IV, Phys. Rev. Research , ( 07 Jan 2020 )

High-Temperature Selective Emitter Design and Materials: Titanium Aluminum Nitride Alloys for Thermophotovoltaics

Nari Jeon, David Mandia, Stephen Gray, Jonathan J. Foley IV, Alex Martinson, ACS Appl. Mater. Interfaces , ( 25 Oct 2019 )

WPTherml: A Python Package for the Design of Materials for Harnessing Heat

James F. Varner, Noor Eldabagh, Derek Volta, Reem Eldabagh, Jonathan J. Foley IV, Journal of Open Research Software , ( 19 Aug 2019 )

Functionally Related Genes Cluster into Genomic Regions That Coordinate Transcription at a Distance in Saccharomyces cerevisiae

Alanna Cera, Maria K. Holganza, Ahmad Abu Hardan, Irvin Gamarra, Reem S. Eldabagh, Megan Deschaine, Sarah Elkamhawy, Exequiel M. Sisso, Jonathan J. Foley, IV, James T. Arnone, ASM mSphere , ( 13 Mar 2019 )

Resonance Energy Transfer Mediated by Metal–Dielectric Composite Nanostructures

Noor Eldabagh, Matthew Micek, A. Eugene DePrince III, Jonathan J. Foley IV, Journal of Physical Chemistry C , ( 20 Jul 2018 )

Pareto Optimal Spectrally Selective Emitters for Thermophotovoltaics via Weak Absorber Critical Coupling

Nari Jeon, Jonathan J. Hernandez, Daniel Rosenmann, Stephen K. Gray, Alex B. F. Martinson, Jonathan J. Foley IV, Advanced Energy Materials , ( 10 Jul 2018 )

Systematic Identification, Characterization, and Conservation of Adjacent-Gene Coregulation in the Budding Yeast Saccharomyces cerevisiae

Reem S. Eldabagh, Nelson G. Mejia, Rachel L. Barrett, Christopher R. Monzo, Matthew K. So, Jonathan J. Foley IV, James T. Arnone, ASM mSphere , ( 14 Jun 2018 )

Optical nanostructures design, fabrication, and applications for solar/thermal energy conversion

Mool C. Gupta, Craig Ungaro, Jonathan J. Foley IV, Stephen K. Gray", Solar Energy , ( 03 May 2018 )

Optical nanostructures design, fabrication, and applications for solar/thermal energy conversion

Mool C. Gupta, Craig Ungaro, Jonathan J. Foley IV, Stephen K. Gray", Solar Energy , ( 01 May 2018 )

One stone, two birds: silica nanospheres significantly increase photocatalytic activity and colloidal stability of photocatalysts

Kowsalya D. Rasamani, Jonathan J. Foley IV, Yugang Sun, Nano Futures , ( 26 Feb 2018 )

Facilitating Students’ Interaction with Real Gas Properties Using a Discovery-Based Approach and Molecular Dynamics Simulations

Chelsea Sweet, Oyewumi Akinfenwa, Jonathan J. Foley IV, J. Chem. Ed. , ( 14 Feb 2018 )

Measurement-driven reconstruction of many-particle quantum processes by semidefinite programming with application to photosynthetic light harvesting

Jonathan J. Foley IV and David A. Mazziotti, Phys. Rev. A , ( 23 Jul 2012 )

Strongly correlated mechanisms of a photoexcited radical reaction from the anti-Hermitian contracted Schrödinger equation

Jonathan J. Foley IV, Adam E. Rothman, David A. Mazziotti, J. Chem. Phys. , ( 21 Jan 2011 )

Efficient geometry optimization by Hellmann–Feynman forces with the anti-Hermitian contracted Schrödinger equation

Jonathan J. Foley IV and David A. Mazziotti, Mol. Phys. , ( 10 Oct 2010 )

Conical intersections in triplet excited states of methylene from the anti-Hermitian contracted Schrödinger equation

James W. Snyder, Adam E. Rothman, Jonathan J. Foley IV and David A. Mazziotti, J. Chem. Phys. , ( 21 Apr 2010 )

Open-shell energies and two-electron reduced density matrices from the anti-Hermitian contracted Schrödinger equation: A spin-coupled approach

Adam E. Rothman, Jonathan J. Foley IV and David A. Mazziotti, Phys. Rev. A , ( 23 Nov 2009 )

Activation energies of sigmatropic shifts in propene and acetone enolate from the anti-Hermitian contracted Schrödinger equation

Jonathan J. Foley, Adam E. Rothman, and David A. Mazziotti, J. Chem. Phys. , ( 14 May 2009 )