Irene Burghardt (I Burghardt)

Publication Activity (10 Years)

Years Active: 2018-2024
Publications (10 Years): 28

Top Topics

Diffusion Weighted

Molecular Dynamics

Energy Transfer

Top Venues

The Journal of chemical physics

The journal of physical chemistry letters

Chemical science

Journal of chemical theory and computation

This page only lists publications with an associated author ORCID identifier.

Publications

James A Green, Dominik Brey, Leyla P Razgatlioglu, Badria Ali, Bartosz Błasiak, Irene Burghardt
Internal Conversion Cascade in a Carbon Nanobelt: A Multiconfigurational Quantum Dynamical Study. Journal of chemical theory and computation (2024)
Dominik Brey, Irene Burghardt
Coherent Transient Localization Mechanism of Interchain Exciton Transport in Regioregular P3HT: A Quantum-Dynamical Study. The journal of physical chemistry letters (2024)
Dominik Brey, Irene Burghardt
Coherent Transient Localization Mechanism of Interchain Exciton Transport in Regioregular P3HT: A Quantum-Dynamical Study. The journal of physical chemistry letters 15 (7) (2024)
Larita Luma, Judith C Pursteiner, Tobias Fischer, Rainer Hegger, Irene Burghardt, Josef Wachtveitl, Alexander Heckel
Dark times: iminothioindoxyl- C -nucleoside fluorescence quenchers with defined location and minimal perturbation in DNA. Chemical science (2024)
Maximiliane Horz, Hafiz M A Masood, Hendrik Brunst, Javier Cerezo, David Picconi, Hannah Vormann, Madhava Shyam Niraghatam, Luuk J G W van Wilderen, Jens Bredenbeck, Fabrizio Santoro, Irene Burghardt
Vibrationally resolved two-photon electronic spectra including vibrational pre-excitation: Theory and application to VIPER spectroscopy with two-photon excitation. The Journal of chemical physics 158 (6) (2023)
Luuk J G W van Wilderen, Daniela Kern-Michler, Carsten Neumann, Matiss Reinfelds, Jan von Cosel, Maximiliane Horz, Irene Burghardt, Alexander Heckel, Jens Bredenbeck
Choose your leaving group: selective photodeprotection in a mixture of p HP-caged compounds by VIPER excitation. Chemical science 14 (10) (2023)
Luuk J G W van Wilderen, Daniela Kern-Michler, Carsten Neumann, Matiss Reinfelds, Jan von Cosel, Maximiliane Horz, Irene Burghardt, Alexander Heckel, Jens Bredenbeck
Choose your leaving group: selective photodeprotection in a mixture of p HP-caged compounds by VIPER excitation. Chemical science 14 (10) (2023)
Carsten Hamerla, Padmabati Mondal, Rainer Hegger, Irene Burghardt
Controlled destabilization of caged circularized DNA oligonucleotides predicted by replica exchange molecular dynamics simulations. Physical chemistry chemical physics : PCCP (2023)
Seogjoo J Jang, Irene Burghardt, Chao-Ping Hsu, Christopher J Bardeen
Excitons: Energetics and spatiotemporal dynamics. The Journal of chemical physics 155 (20) (2022)
Marvin Asido, Carsten Hamerla, Rebekka Weber, Maximiliane Horz, Madhava Shyam Niraghatam, Alexander Heckel, Irene Burghardt, Josef Wachtveitl
Ultrafast and efficient energy transfer in a one- and two-photon sensitized rhodamine-BODIPY dyad: a perspective for broadly absorbing photocages. Physical chemistry chemical physics : PCCP 24 (3) (2022)
Rafael S Mattos, Irene Burghardt, Adélia J A Aquino, Thiago Messias Cardozo, Hans Lischka
On the Cooperative Origin of Solvent-Enhanced Symmetry-Breaking Charge Transfer in a Covalently Bound Tetracene Dimer Leading to Singlet Fission. Journal of the American Chemical Society 144 (51) (2022)
Rafael S Mattos, Irene Burghardt, Adélia J A Aquino, Thiago Messias Cardozo, Hans Lischka
On the Cooperative Origin of Solvent-Enhanced Symmetry-Breaking Charge Transfer in a Covalently Bound Tetracene Dimer Leading to Singlet Fission. Journal of the American Chemical Society (2022)
Dominik Brey, Robert Binder, Rocco Martinazzo, Irene Burghardt
Signatures of coherent vibronic exciton dynamics and conformational control in the two-dimensional electronic spectroscopy of conjugated polymers. Faraday discussions 237 (0) (2022)
Wei-Tao Peng, Dominik Brey, Samuele Giannini, David Dell'Angelo, Irene Burghardt, Jochen Blumberger
Exciton Dissociation in a Model Organic Interface: Excitonic State-Based Surface Hopping versus Multiconfigurational Time-Dependent Hartree. The journal of physical chemistry letters 13 (31) (2022)
Marc Alías-Rodríguez, Martina Basini, Lara Benfatto, Yorrick Boeije, Irene Burghardt, Andrew Burnett, Lin Chen, Eric Collet, Rory Cowin, Ilya M Eremin, Graham R Fleming, Aswathy V Girija, Kunio Ishida, Shinichiro Iwai, J Olof Johansson, Steven Lee Johnson, Kota Katsumi, James McCusker, Christophe Odin, Matteo Puviani, Jan M Rost, Habib Rostami, Mattia Udina, Julia Weinstein
Theory of out of equilibrium light-induced phenomena: general discussion. Faraday discussions 237 (0) (2022)
Rainer Hegger, Robert Binder, Irene Burghardt
First-Principles Quantum and Quantum-Classical Simulations of Exciton Diffusion in Semiconducting Polymer Chains at Finite Temperature. Journal of chemical theory and computation 16 (9) (2020)
Tianji Ma, Matteo Bonfanti, Pierre Eisenbrandt, Rocco Martinazzo, Irene Burghardt
Multi-configurational Ehrenfest simulations of ultrafast nonadiabatic dynamics in a charge-transfer complex. The Journal of chemical physics 149 (24) (2019)
Wjatscheslaw Popp, Matthias Polkehn, Robert Binder, Irene Burghardt
Coherent Charge Transfer Exciton Formation in Regioregular P3HT: A Quantum Dynamical Study. The journal of physical chemistry letters 10 (12) (2019)
David Picconi, Jeffrey A Cina, Irene Burghardt
Quantum dynamics and spectroscopy of dihalogens in solid matrices. I. Efficient simulation of the photodynamics of the embedded I2Kr18 cluster using the G-MCTDH method. The Journal of chemical physics 150 (6) (2019)
David Picconi, Jeffrey A Cina, Irene Burghardt
Quantum dynamics and spectroscopy of dihalogens in solid matrices. II. Theoretical aspects and G-MCTDH simulations of time-resolved coherent Raman spectra of Schrödinger cat states of the embedded I2Kr18 cluster. The Journal of chemical physics 150 (6) (2019)
Ruibin Liang, Stephen J Cotton, Robert Binder, Rainer Hegger, Irene Burghardt, William H Miller
The symmetrical quasi-classical approach to electronically nonadiabatic dynamics applied to ultrafast exciton migration processes in semiconducting polymers. The Journal of chemical physics 149 (4) (2018)
Christopher A Hammer, Konstantin Falahati, Andreas Jakob, Robin Klimek, Irene Burghardt, Alexander Heckel, Josef Wachtveitl
Sensitized Two-Photon Activation of Coumarin Photocages. The journal of physical chemistry letters 9 (6) (2018)
Konstantin Falahati, Hiroyuki Tamura, Irene Burghardt, Miquel Huix-Rotllant
Ultrafast carbon monoxide photolysis and heme spin-crossover in myoglobin via nonadiabatic quantum dynamics. Nature communications 9 (1) (2018)
P Eisenbrandt, M Ruckenbauer, Irene Burghardt
Gaussian-based multiconfiguration time-dependent Hartree: A two-layer approach. III. Application to nonadiabatic dynamics in a charge transfer complex. The Journal of chemical physics 149 (17) (2018)
Jan von Cosel, Javier Cerezo, Daniela Kern-Michler, Carsten Neumann, Luuk J G W van Wilderen, Jens Bredenbeck, Fabrizio Santoro, Irene Burghardt
Vibrationally resolved electronic spectra including vibrational pre-excitation: Theory and application to VIPER spectroscopy. The Journal of chemical physics 147 (16) (2018)
P Eisenbrandt, M Ruckenbauer, S Römer, Irene Burghardt
Gaussian-based multiconfiguration time-dependent Hartree: A two-layer approach. II. Application to vibrational energy transport in a molecular chain. The Journal of chemical physics 149 (17) (2018)
Matteo Bonfanti, Jakob Petersen, Pierre Eisenbrandt, Irene Burghardt, Eli Pollak
Computation of the S1 ← S0 Vibronic Absorption Spectrum of Formaldehyde by Variational Gaussian Wavepacket and Semiclassical IVR Methods. Journal of chemical theory and computation 14 (10) (2018)
Padmabati Mondal, Giovanni Granucci, Dominique Rastädter, Maurizio Persico, Irene Burghardt
Azobenzene as a photoregulator covalently attached to RNA: a quantum mechanics/molecular mechanics-surface hopping dynamics study. Chemical science 9 (20) (2018)