ERD

Exploring Chemical Compound Space with Quantum-Based Machine Learning

Project: BeStMo

Updated at: 27-04-2024

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Project acronym BeStMo

Machine learning for molecular simulation

Project: BeStMo

Updated at: 27-04-2024

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Project acronym BeStMo

From quantum to continuum mechanics in the delamination of atomically-thin layers from substrates

Project: BeStMo

Updated at: 27-04-2024

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Project acronym BeStMo

Molecular Interactions Induced by a Static Electric Field in Quantum Mechanics and Quantum Electrodynamics

Project: BeStMo

Updated at: 27-04-2024

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Project acronym BeStMo

DFTB+, a software package for efficient approximate density functional theory based atomistic simulations

Project: BeStMo

Updated at: 27-04-2024

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Project acronym BeStMo

Many-Body Descriptors for Predicting Molecular Properties with Machine Learning: Analysis of Pairwise and Three-Body Int...

Project: BeStMo

Updated at: 27-04-2024

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Project acronym BeStMo

i-PI 2.0: A universal force engine for advanced molecular simulations

Project: BeStMo

Updated at: 27-04-2024

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Project acronym BeStMo

Advances in Density-Functional Calculations for Materials Modeling

Project: BeStMo

Updated at: 27-04-2024

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Project acronym BeStMo

Interactions between large molecules pose a puzzle for reference quantum mechanical methods

Project: BeStMo

Updated at: 27-04-2024

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Project acronym BeStMo

Theory and practice of modeling van der Waals interactions in electronic-structure calculations

Project: BeStMo

Updated at: 27-04-2024

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Project acronym BeStMo

"Quantum Mechanics Enables ""Freedom of Design"" in Molecular Property Space"

Project: BeStMo

Updated at: 27-04-2024

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Project acronym BeStMo

Fine-Structure Constant Connects Electronic Polarizability and Geometric van-der-Waals Radius of Atoms

Project: BeStMo

Updated at: 27-04-2024

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Project acronym BeStMo

Towards Linearly Scaling and Chemically Accurate Global Machine Learning Force Fields for Large Molecules

Project: BeStMo

Updated at: 27-04-2024

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Project acronym BeStMo

Periodic Reporting for period 4 - BeStMo (Beyond Static Molecules: Modeling Quantum Fluctuations in Complex Molecular En...

Project: BeStMo

Updated at: 27-04-2024

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Project acronym BeStMo

sGDML: Constructing accurate and data efficient molecular force fields using machine learning

Project: BeStMo

Updated at: 27-04-2024

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Project acronym BeStMo

Molecular force fields with gradient-domain machine learning: Construction and application to dynamics of small molecule...

Project: BeStMo

Updated at: 27-04-2024

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Project acronym BeStMo

Long-Range Repulsion Between Spatially Confined van der Waals Dimers

Project: BeStMo

Updated at: 27-04-2024

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Project acronym BeStMo

Machine learning of accurate energy-conserving molecular force fields

Project: BeStMo

Updated at: 27-04-2024

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Project acronym BeStMo

Structure and Stability of Molecular Crystals with Many-Body Dispersion-Inclusive Density Functional Tight Binding

Project: BeStMo

Updated at: 27-04-2024

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Project acronym BeStMo

SchNet – A deep learning architecture for molecules and materials

Project: BeStMo

Updated at: 27-04-2024

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Project acronym BeStMo

Understanding non-covalent interactions in larger molecular complexes from first principles

Project: BeStMo

Updated at: 27-04-2024

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Project acronym BeStMo

Quantum-Mechanical Relation between Atomic Dipole Polarizability and the van der Waals Radius

Project: BeStMo

Updated at: 27-04-2024

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Towards exact molecular dynamics simulations with machine-learned force fields

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Updated at: 27-04-2024

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van der Waals Interactions in Material Modelling

Project: BeStMo

Updated at: 27-04-2024

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Project acronym BeStMo

Sadhukhan and Tkatchenko Reply:

Project: BeStMo

Updated at: 27-04-2024

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Project acronym BeStMo

Reliable and practical computational description of molecular crystal polymorphs

Project: BeStMo

Updated at: 27-04-2024

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Project acronym BeStMo

SchNetPack: A Deep Learning Toolbox For Atomistic Systems

Project: BeStMo

Updated at: 27-04-2024

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Project acronym BeStMo

Non-covalent interactions across organic and biological subsets of chemical space: Physics-based potentials parametrized...

Project: BeStMo

Updated at: 27-04-2024

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Project acronym BeStMo

Impact of nuclear vibrations on van der Waals and Casimir interactions at zero and finite temperature

Project: BeStMo

Updated at: 27-04-2024

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Quantum-Chemical Insights from Interpretable Atomistic Neural Networks

Project: BeStMo

Updated at: 27-04-2024

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