From Molecular Electronics to Molecular Intelligence
C Yan, C Fang, J Gan, J Wang, X Zhao, X Wang, J Li… - ACS …, 2024 - ACS Publications
Molecular electronics is a field that explores the ultimate limits of electronic device
dimensions by using individual molecules as operable electronic devices. Over the past five …
dimensions by using individual molecules as operable electronic devices. Over the past five …
Research acceleration in self‐driving labs: Technological roadmap toward accelerated materials and molecular discovery
The urgency of finding solutions to global energy, sustainability, and healthcare challenges
has motivated rethinking of the conventional chemistry and material science workflows. Self …
has motivated rethinking of the conventional chemistry and material science workflows. Self …
Quantum computing and chemistry
As the year-to-year gains in speeds of classical computers continue to taper off,
computational chemists are increasingly examining quantum computing as a possible route …
computational chemists are increasingly examining quantum computing as a possible route …
Opportunities in main group molecular electronics
MO Hight, TA Su - Trends in Chemistry, 2024 - cell.com
Main group molecular electronics is an emerging area that investigates quantum transport
through main group backbones within molecular junctions. It merges two rapidly advancing …
through main group backbones within molecular junctions. It merges two rapidly advancing …
Modeling spin relaxation in complex radical systems using MolSpin
Spin relaxation is an important aspect of the spin dynamics of free radicals and can have a
significant impact on the outcome of their spin‐selective reactions. Examples range from the …
significant impact on the outcome of their spin‐selective reactions. Examples range from the …
Quantum Computing for Chemistry
Quantum computing is an emerging technology with the potential to revolutionize
computational studies in chemistry and materials science. Unlike conventional classical …
computational studies in chemistry and materials science. Unlike conventional classical …
Influence of Peripheral and Ancillary Changes on the Electron Transport of HS3d5 FeIII Metallosurfactants – Substituents, Chain Length, Subphase Polarity, and …
Our ongoing efforts to design metallosurfactants capable of directional electron transport led
to pondering on the effects of peripheral changes, and the development of 3d5 FeIII systems …
to pondering on the effects of peripheral changes, and the development of 3d5 FeIII systems …
Electron transport and quantum phase transitions in cumulene-connected C80H20 fulleryne: DFT and tight-binding studies
Molecular bridges are opening up exciting new applications in diverse fields, improving the
efficiency of conductive inks, enhancing the performance of devices such as organic light …
efficiency of conductive inks, enhancing the performance of devices such as organic light …
Advances in Computational Methods for Modeling Photocatalytic Reactions: A Review of Recent Developments
S Gusarov - Materials, 2024 - mdpi.com
Photocatalysis is a fascinating process in which a photocatalyst plays a pivotal role in driving
a chemical reaction when exposed to light. Its capacity to harness light energy triggers a …
a chemical reaction when exposed to light. Its capacity to harness light energy triggers a …
Assessing the importance of multireference correlation in predicting reversed conductance decay
TA Cossaboon, S Kazmi, M Tineo… - Physical Chemistry …, 2024 - pubs.rsc.org
In a classical electronic resistor, conductance decays as the device length increases
according to Ohm's Law. While most molecular series display a comparable exponential …
according to Ohm's Law. While most molecular series display a comparable exponential …