Chimera: enabling hierarchy based multi-objective optimization for self-driving laboratories

The Molecular Industrial Revolution: Automated Synthesis of Small Molecules

(2018) Melanie Trobe et al.   ANGEWANDTE CHEMIE-INTERNATIONAL EDITION

Constrained multi-objective optimization of thermocline packed-bed thermal-energy storage

(2018) Jan Marti et al.   APPLIED ENERGY

Digitization of multistep organic synthesis in reactionware for on-demand pharmaceuticals

(2018) Philip J. Kitson et al.   SCIENCE

Phoenics: A Bayesian Optimizer for Chemistry

(2018) Florian Häse et al.   ACS Central Science

Using coherence to enhance function in chemical and biophysical systems

(2017) Gregory D. Scholes et al.   NATURE

Optimizing Chemical Reactions with Deep Reinforcement Learning

(2017) Zhenpeng Zhou et al.   ACS Central Science

Real-time HPLC-MS reaction progress monitoring using an automated analytical platform

(2017) Thomas C. Malig et al.   Reaction Chemistry & Engineering

Tuning reaction products by constrained optimisation

(2017) Barnaby E. Walker et al.   Reaction Chemistry & Engineering

Robust Design of Plasmonic Waveguide Using Gradient Index and Multiobjective Optimization

(2016) Jaehoon Jung   IEEE PHOTONICS TECHNOLOGY LETTERS

Evolutionary multi-objective optimization of colour pixels based on dielectric nanoantennas

(2016) Peter R. Wiecha et al.   Nature Nanotechnology

Analysis and optimisation of packed-bed thermal reservoirs for electricity storage applications

(2016) Alexander J White et al.   PROCEEDINGS OF THE INSTITUTION OF MECHANICAL ENGINEERS PART A-JOURNAL OF POWER AND ENERGY

Hydro-thermal-wind scheduling employing novel ant lion optimization technique with composite ranking index

(2016) Hari Mohan Dubey et al.   RENEWABLE ENERGY

Autonomy in materials research: a case study in carbon nanotube growth

(2016) Pavel Nikolaev et al.   npj Computational Materials

Thermo-economic optimization of Stirling heat pump by using non-dominated sorting genetic algorithm

(2015) Mohammad H. Ahmadi et al.   ENERGY CONVERSION AND MANAGEMENT

General Subpopulation Framework and Taming the Conflict Inside Populations

(2015) Danilo Vasconcellos Vargas et al.   EVOLUTIONARY COMPUTATION

A Novel Internet-Based Reaction Monitoring, Control and Autonomous Self-Optimization Platform for Chemical Synthesis

(2015) Daniel E. Fitzpatrick et al.   ORGANIC PROCESS RESEARCH & DEVELOPMENT

Synthesis of many different types of organic small molecules using one automated process

(2015) J. Li et al.   SCIENCE

A self optimizing synthetic organic reactor system using real-time in-line NMR spectroscopy

(2015) Victor Sans et al.   Chemical Science

Scalable High-Performance Algorithm for the Simulation of Exciton Dynamics. Application to the Light-Harvesting Complex II in the Presence of Resonant Vibrational Modes

(2014) Christoph Kreisbeck et al.   Journal of Chemical Theory and Computation

Multiobjective optimization using Gaussian process emulators via stepwise uncertainty reduction

(2014) Victor Picheny   STATISTICS AND COMPUTING

Disentangling Electronic and Vibronic Coherences in Two-Dimensional Echo Spectra

(2013) Christoph Kreisbeck et al.   JOURNAL OF PHYSICAL CHEMISTRY B

Visualizing charge separation in bulk heterojunction organic solar cells

(2013) D. Amarasinghe Vithanage et al.   Nature Communications

Reduced hierarchy equations of motion approach with Drude plus Brownian spectral distribution: Probing electron transfer processes by means of two-dimensional correlation spectroscopy

(2012) Yoshitaka Tanimura   JOURNAL OF CHEMICAL PHYSICS

Hot charge-transfer excitons set the time limit for charge separation at donor/acceptor interfaces in organic photovoltaics

(2012) Askat E. Jailaubekov et al.   NATURE MATERIALS

Modelling of oscillations in two-dimensional echo-spectra of the Fenna–Matthews–Olson complex

(2012) Birgit Hein et al.   NEW JOURNAL OF PHYSICS

Automated Multitrajectory Method for Reaction Optimization in a Microfluidic System using Online IR Analysis

(2012) Jason S. Moore et al.   ORGANIC PROCESS RESEARCH & DEVELOPMENT

A modified NBI and NC method for the solution of N-multiobjective optimization problems

(2012) Renato de S. Motta et al.   STRUCTURAL AND MULTIDISCIPLINARY OPTIMIZATION

The Effect of Self-Optimisation Targets on the Methylation of Alcohols Using Dimethyl Carbonate in Supercritical CO2

(2012) Denis N. Jumbam et al.   Journal of Flow Chemistry

Lessons from nature about solar light harvesting

(2011) Gregory D. Scholes et al.   Nature Chemistry

Structure-based simulation of linear optical spectra of the CP43 core antenna of photosystem II

(2011) Frank Müh et al.   PHOTOSYNTHESIS RESEARCH

On the adequacy of the Redfield equation and related approaches to the study of quantum dynamics in electronic energy transfer

(2009) Akihito Ishizaki et al.   JOURNAL OF CHEMICAL PHYSICS

A Successive Approach to Compute the Bounded Pareto Front of Practical Multiobjective Optimization Problems

(2009) Daniel Mueller-Gritschneder et al.   SIAM JOURNAL ON OPTIMIZATION

The weighted sum method for multi-objective optimization: new insights

(2009) R. Timothy Marler et al.   STRUCTURAL AND MULTIDISCIPLINARY OPTIMIZATION

Spectroscopic Properties of Reaction Center Pigments in Photosystem II Core Complexes: Revision of the Multimer Model

(2008) Grzegorz Raszewski et al.   BIOPHYSICAL JOURNAL

Light Harvesting in Photosystem II Core Complexes Is Limited by the Transfer to the Trap:  Can the Core Complex Turn into a Photoprotective Mode?

(2008) Grzegorz Raszewski et al.   JOURNAL OF THE AMERICAN CHEMICAL SOCIETY