ERD

Encrypted machine learning of molecular quantum properties

Project: QML

Updated at: 01-03-2025

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Project acronym QML

Relative energies without electronic perturbations via alchemical integral transform

Project: QML

Updated at: 01-03-2025

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Project acronym QML

Generalized Alchemical Integral Transform and the multi-electron atom energy

Project: QML

Updated at: 01-03-2025

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Project acronym QML

Reducing training data needs with minimal multilevel machine learning (M3L)

Project: QML

Updated at: 01-03-2025

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Project acronym QML

Occam's razor for AI: Coarse-graining Hammett Inspired Product Ansatz in Chemical Space

Project: QML

Updated at: 01-03-2025

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Project acronym QML

Periodic Reporting for period 5 - QML (Quantum Machine Learning: Chemical Reactions with Unprecedented Speed and Accurac...

Project: QML

Updated at: 01-03-2025

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Project acronym QML

Impact of noise on inverse design: the case of NMR spectra matching

Project: QML

Updated at: 01-03-2025

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Project acronym QML

Geometry Relaxation and Transition State Search throughout Chemical Compound Space with Quantum Machine Learning

Project: QML

Updated at: 01-03-2025

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Project acronym QML

Fast and accurate excited states predictions: Machine learning and diabatization

Project: QML

Updated at: 01-03-2025

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Project acronym QML

Non-covalent interactions between molecular dimers (S66) in electric fields

Project: QML

Updated at: 01-03-2025

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Project acronym QML

Evolutionary Monte Carlo of QM Properties in Chemical Space: Electrolyte Design

Project: QML

Updated at: 01-03-2025

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Project acronym QML

Kernel based quantum machine learning at record rate: Many-body distribution functionals as compact representations

Project: QML

Updated at: 01-03-2025

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Project acronym QML

<i>Ab initio</i> machine learning of phase space averages

Project: QML

Updated at: 01-03-2025

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Project acronym QML

Conformer-specific polar cycloaddition of dibromobutadiene with trapped propene ions

Project: QML

Updated at: 01-03-2025

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Project acronym QML

Selected machine learning of HOMO–LUMO gaps with improved data-efficiency

Project: QML

Updated at: 01-03-2025

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Project acronym QML

Transition state search and geometry relaxation throughout chemical compound space with quantum machine learning

Project: QML

Updated at: 01-03-2025

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Project acronym QML

Toward the design of chemical reactions: Machine learning barriers of competing mechanisms in reactant space

Project: QML

Updated at: 01-03-2025

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Project acronym QML

Towards self-driving laboratories: The central role of density functional theory in the AI age

Project: QML

Updated at: 01-03-2025

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Project acronym QML

Data enhanced Hammett-equation: reaction barriers in chemical space

Project: QML

Updated at: 27-04-2024

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Project acronym QML

Quantum based machine learning of competing chemical reaction profiles

Project: QML

Updated at: 27-04-2024

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Project acronym QML

Noncovalent Quantum Machine Learning Corrections to Density Functionals

Project: QML

Updated at: 27-04-2024

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Project acronym QML

Machine learning the computational cost of quantum chemistry

Project: QML

Updated at: 27-04-2024

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Project acronym QML

Simplifying inverse material design problems for fixed lattices with alchemical chirality

Project: QML

Updated at: 27-04-2024

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Project acronym QML

Non-covalent quantum machine learning corrections to density functionals

Project: QML

Updated at: 27-04-2024

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Project acronym QML

Large yet bounded: Spin gap ranges in carbenes

Project: QML

Updated at: 27-04-2024

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Project acronym QML

Machine Learning of Free Energies in Chemical Compound Space Using Ensemble Representations: Reaching Experimental Uncer...

Project: QML

Updated at: 27-04-2024

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Project acronym QML

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