88 citations · 377 across the 14 of their papers we have counts for
14 papers
A Bond-Based Machine Learning Model for Molecular Polarizabilities and A Priori Raman Spectra
Jakub K. Sowa, Peter J. Rossky
The use of machine learning (ML) algorithms in molecular simulations has become commonplace in recent years. There now exists, for instance, a multitude of ML force field algorithm…
IR Spectroscopy of Carboxylate-Passivated Semiconducting Nanocrystals: Simulation and Experiment
Jakub K. Sowa, Danielle M. Cadena, Arshad Mehmood +3
Surfaces of colloidal nanocrystals are frequently passivated with carboxylate ligands which exert significant effects on their optoelectronic properties and chemical stability. Exp…
Charge-state dependent vibrational relaxation in a single-molecule junction
Xinya Bian, Zhixin Chen, Jakub K. Sowa +8
The interplay between nuclear and electronic degrees of freedom strongly influences molecular charge transport. Herein, we report on transport through a porphyrin dimer molecule, w…
Single-electron transport in a molecular Hubbard dimer
James O. Thomas, Jakub K. Sowa, Bart Limburg +9
Many-body electron interactions are at the heart of chemistry and solid-state physics. Understanding these interactions is crucial for the development of molecular-scale quantum an…
On the theory of charge transport and entropic effects in solvated molecular junctions
Jakub K. Sowa, Rudolph A. Marcus
Experimental studies on single-molecule junctions are typically in need of a simple theoretical approach that can reproduce or be fitted to experimentally measured transport data.…
Photoisomerization-coupled electron transfer
Jakub K. Sowa, Emily A. Weiss, Tamar Seideman
Photochromic molecular structures constitute a unique platform for constructing molecular switches, sensors and memory devices. One of their most promising applications is as light…
Marcus Theory of Thermoelectricity in Molecular Junctions
Jakub K. Sowa, Jan A. Mol. Erik M. Gauger
Thermoelectric energy conversion is perhaps the most promising of the potential applications of molecular electronics. Ultimately, it is desirable for this technology to operate at…
Beyond Marcus theory and the Landauer-Buttiker approach in molecular junctions. II. A self-consistent Born approach
Jakub K. Sowa, Neill Lambert, Tamar Seideman +1
Marcus and Landauer-Buttiker approaches to charge transport through molecular junctions describe two contrasting mechanisms of electronic conduction. In previous work, we have show…
The role of metallic leads and electronic degeneracies in thermoelectric power generation in quantum dots
Achim Harzheim, Jakub K. sowa, Jacob L. Swett +3
The power factor of a thermoelectric device is a measure of the heat-to-energy conversion efficiency in nanoscopic devices. Yet, even as interest in low-dimensional thermoelectric…
Understanding resonant charge transport through weakly coupled single-molecule junctions
James O. Thomas, Bart Limburg, Jakub K. Sowa +6
Off-resonant charge transport through molecular junctions has been extensively studied since the advent of single-molecule electronics and it is now well understood within the fram…
Beyond Marcus theory and the Landauer-Büttiker approach in molecular junctions: A unified framework
Jakub K. Sowa, Jan A. Mol, G. Andrew D. Briggs +1
Charge transport through molecular junctions is often described either as a purely coherent or a purely classical phenomenon, and described using the Landauer-Büttiker formalism or…
Spiro-Conjugated Molecular Junctions: between Jahn-Teller Distortion and Destructive Quantum Interference
Jakub K. Sowa, Jan A. Mol, G. Andrew D. Briggs +1
The quest for molecular structures exhibiting strong quantum interference effects in the transport setting has long been on the forefront of chemical research. Here, we establish t…
Environment-Assisted Quantum Transport through Single-Molecule Junctions
Jakub K. Sowa, Jan A. Mol, G. Andrew D. Briggs +1
Single-molecule electronics has been envisioned as the ultimate goal in the miniaturisation of electronic circuits. While the aim of incorporating single-molecule junctions into mo…
Vibrational effects in charge transport through a molecular double quantum dot
Jakub K. Sowa, Jan A. Mol, G. Andrew D. Briggs +1
Recent progress in the field of molecular electronics has revealed the fundamental importance of the coupling between the electronic degrees of freedom and specific vibrational mod…