Robert Rauschen
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View article: Utilizing Similarity Measures to Map Chemical Reactivity
Utilizing Similarity Measures to Map Chemical Reactivity Open
The development of fully autonomous chemical synthesis platforms requires robust, real‐time assessment of reactivity that does not rely on prior mechanistic knowledge. Existing methods often depend on predefined reaction models or chemical…
View article: Utilizing Similarity Measures to Map Chemical Reactivity
Utilizing Similarity Measures to Map Chemical Reactivity Open
The development of fully autonomous chemical synthesis platforms requires robust, real‐time assessment of reactivity that does not rely on prior mechanistic knowledge. Existing methods often depend on predefined reaction models or chemical…
View article: ElectroChemputer with Integrated Monitoring for Programmable Electrochemistry
ElectroChemputer with Integrated Monitoring for Programmable Electrochemistry Open
Electrochemical synthesis offers a sustainable and atom-economical alternative to conventional synthetic methods. While recent advances have enabled electrochemical discovery, the integration of real-time-control with analysis promises to …
View article: A programmable modular robot for the synthesis of molecular machines
A programmable modular robot for the synthesis of molecular machines Open
The assembly of molecular nanomachines using atomically precise manipulations promises to enable nanotechnology with unprecedented architectural features and exquisite functional properties. However, this future is critically limited by th…
View article: Universal Chemical Programming Language for Robotic Synthesis Reproducibility
Universal Chemical Programming Language for Robotic Synthesis Reproducibility Open
The amount of chemical synthesis literature is growing quickly, but it still takes a long time to share and evaluate new processes because of cultural and practical barriers. Herein, we present an approach that uses a universal chemical pr…
View article: Perovskite crystal symmetry and oxygen-ion transport: a molecular-dynamics study of perovskite
Perovskite crystal symmetry and oxygen-ion transport: a molecular-dynamics study of perovskite Open
Oxygen diffusion in CaTiO 3 is revealed through molecular dynamics (MD) simulations to have a smaller activation enthalpy in the high-symmetry phase.