selected publications
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academic article
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Classification of conductance traces with recurrent neural networks..
The Journal of Chemical Physics.
148.
2018
Coarctate and Möbius: The Helical Orbitals of Allene and Other Cumulenes..
ACS Central Science.
4.
2018
Comprehensive suppression of single-molecule conductance using destructive σ-interference.
Nature.
558.
2018
Controlling Band Alignment in Molecular Junctions: Utilizing Two-Dimensional Transition-Metal Dichalcogenides as Electrodes for Thermoelectric Devices.
The Journal of Physical Chemistry C.
122.
2018
Large Variations in the Single-Molecule Conductance of Cyclic and Bicyclic Silanes..
Journal of the American Chemical Society.
140.
2018
Resonant Transport in Single Diketopyrrolopyrrole Junctions..
Journal of the American Chemical Society.
140.
2018
Reverse Bond-Length Alternation in Cumulenes: Candidates for Increasing Electronic Transmission with Length.
The Journal of Physical Chemistry C.
122.
2018
The Bicyclo[2.2.2]octane Motif: A Class of Saturated Group 14 Quantum Interference Based Single-Molecule Insulators..
The Journal of Physical Chemistry Letters.
9.
2018
A Strategy to Suppress Phonon Transport in Molecular Junctions Using π-Stacked Systems.
The Journal of Physical Chemistry C.
121.
2017
Complex band structure and electronic transmission eigenchannels.
The Journal of Chemical Physics.
147.
2017
Dynamic breaking of a single gold bond.
Nature Communications.
8.
2017
Effect of Ring Strain on the Charge Transport of a Robust Norbornadiene-Quadricyclane-Based Molecular Photoswitch..
The Journal of Physical Chemistry C.
121.
2017
Effects of Aromaticity and Connectivity on the Conductance of Five-Membered Rings.
The Journal of Physical Chemistry C.
121.
2017
Excitonic Coupling Modulated by Mechanical Stimuli..
The Journal of Physical Chemistry Letters.
8.
2017
Extreme Conductance Suppression in Molecular Siloxanes..
Journal of the American Chemical Society.
139.
2017
Interatomic inelastic current.
The Journal of Chemical Physics.
146.
2017
Single-molecule detection of dihydroazulene photo-thermal reaction using break junction technique.
Nature Communications.
8.
2017
Single-molecule force-conductance spectroscopy of hydrogen-bonded complexes.
The Journal of Chemical Physics.
146.
2017
Temporal correlations and structural memory effects in break junction measurements.
The Journal of Chemical Physics.
146.
2017
The Role of Through-Space Interactions in Modulating Constructive and Destructive Interference Effects in Benzene..
Nano Letters.
17.
2017
What is “New Physical Insight”? Suggestions for Transport Studies.
The Journal of Physical Chemistry C.
121.
2017
An approach to develop chemical intuition for atomistic electron transport calculations using basis set rotations.
The Journal of Chemical Physics.
144.
2016
Close relation between quantum interference in molecular conductance and diradical existence.
Proceedings of the National Academy of Sciences of the United States of America.
113.
2016
Conformations of cyclopentasilane stereoisomers control molecular junction conductance.
Chemical Science.
7.
2016
Feeling the squeeze.
Nature Materials.
15.
2016
Graphene with vacancies: Supernumerary zero modes.
Physical Review B.
94.
2016
Hydrogen Bonding in Tight Environments: Simulated Force Spectroscopy of Nanoconfined Hydrogen-Bonded Complexes.
The Journal of Physical Chemistry C.
120.
2016
Probing the Conductance of the σ-System of Bipyridine Using Destructive Interference..
The Journal of Physical Chemistry Letters.
7.
2016
Single-molecule electronics: Cooling individual vibrational modes by the tunneling current.
The Journal of Chemical Physics.
144.
2016
Tuning Conductance in Aromatic Molecules: Constructive and Counteractive Substituent Effects.
The Journal of Physical Chemistry C.
120.
2016
When Conductance Is Less than the Sum of Its Parts: Exploring Interference in Multiconnected Molecules.
The Journal of Physical Chemistry C.
120.
2016
Electron transport in molecular junctions with graphene as protecting layer.
The Journal of Chemical Physics.
143.
2015
From Chemistry to Functionality: Trends for the Length Dependence of the Thermopower in Molecular Junctions.
The Journal of Physical Chemistry C.
119.
2015
Illusory Connection between Cross-Conjugation and Quantum Interference.
The Journal of Physical Chemistry C.
119.
2015
Interference enhanced thermoelectricity in quinoid type structures.
The Journal of Chemical Physics.
142.
2015
Interfering with interference.
Nature Chemistry.
7.
2015
Mechanical Tuning of Thermal Transport in a Molecular Junction.
The Journal of Physical Chemistry C.
119.
2015
Molecular Heterojunctions of Oligo(phenylene ethynylene)s with Linear to Cruciform Framework.
Advanced Functional Materials.
25.
2015
Reply to "Comment on 'Breakdown of Interference Rules in Azulene, a Nonalternant Hydrocarbon'"..
Nano Letters.
15.
2015
Breakdown of interference rules in azulene, a nonalternant hydrocarbon..
Nano Letters.
14.
2014
Designing π-stacked molecular structures to control heat transport through molecular junctions.
Applied Physics Letters.
105.
2014
Exploiting quantum interference in dye sensitized solar cells..
ACS Nano.
8.
2014
Exploring coherent transport through π-stacked systems for molecular electronic devices.
Faraday Discussions.
174.
2014
IETS and quantum interference: Propensity rules in the presence of an interference feature.
The Journal of Chemical Physics.
141.
2014
Quantum interference in off-resonant transport through single molecules.
Physical Review B.
90.
2014
Triazatriangulene as binding group for molecular electronics..
Langmuir.
30.
2014
Understanding the length dependence of molecular junction thermopower.
The Journal of Chemical Physics.
140.
2014
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chapter
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Cross‐Conjugation and Quantum Interference.
Wiley.
2016
-
dataset
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Permethylation
Introduces Destructive Quantum Interference
in Saturated Silanes.
american-chemical-society.
2019
Resonant
Transport in Single Diketopyrrolopyrrole
Junctions.
american-chemical-society.
2018
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A New Class of Extended Tetrathiafulvalene Cruciform Molecules for Molecular Electronics with Dithiafulvene‐4,5‐Dithiolate Anchoring Groups.
Advanced Materials.
2013
Energy level alignment and quantum conductance of functionalized metal-molecule junctions: density functional theory versus GW calculations..
The Journal of Chemical Physics.
2013
Strong overtones modes in inelastic electron tunneling spectroscopy with cross-conjugated molecules: a prediction from theory..
ACS Nano.
2013
Ultrathin Reduced Graphene Oxide Films as Transparent Top‐Contacts for Light Switchable Solid‐State Molecular Junctions.
Advanced Materials.
2013