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Publications by Alán Aspuru-Guzik

Lead Candidates for High-Performance Organic Photovoltaics From High-Throughput Quantum Chemistry – The Harvard Clean Energy Project

Energy and Environmental Sciences
SustainabilityRenewable EnergyNuclear EnergyEnvironmental ChemistryEngineeringthe EnvironmentPollution
2014English

Reply to ‘Assessing the Impact of Generative AI on Medicinal Chemistry’

Nature Biotechnology
Applied MicrobiologyBiotechnologyBiomedical EngineeringMolecular MedicineBioengineering
2020English

Photonic Quantum Simulators

Nature Physics
AstronomyPhysics
2012English

A Variational Eigenvalue Solver on a Photonic Quantum Processor

Nature Communications
AstronomyGeneticsMolecular BiologyBiochemistryChemistryPhysics
2014English

The Matter Simulation (R)evolution

ACS Central Science
ChemistryChemical Engineering
2018English

Compressed Sensing for the Fast Computation of Matrices: Application to Molecular Vibrations

ACS Central Science
ChemistryChemical Engineering
2015English

On Thermodynamic Inconsistencies in Several Photosynthetic and Solar Cell Models and How to Fix Them

Chemical Science
Chemistry
2017English

Analytical Nuclear Gradients for the Range-Separated Many-Body Dispersion Model of Noncovalent Interactions

Chemical Science
Chemistry
2016English

Optical Monitoring of Polymerizations in Droplets With High Temporal Dynamic Range

Chemical Science
Chemistry
2020English

Machine Learning Exciton Dynamics

Chemical Science
Chemistry
2016English

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