ERD

Electronic Exchange and Correlation in van der Waals Systems: Balancing Semilocal and Nonlocal Energy Contributions

Project: BeStMo

Updated at: 27-04-2024

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Project acronym BeStMo

Quantum mechanics of proteins in explicit water: The role of plasmon-like solute-solvent interactions

Project: BeStMo

Updated at: 27-04-2024

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Project acronym BeStMo

Construction of Machine Learned Force Fields with Quantum Chemical Accuracy: Applications and Chemical Insights

Project: BeStMo

Updated at: 27-04-2024

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Project acronym BeStMo

Learning representations of molecules and materials with atomistic neural networks

Project: BeStMo

Updated at: 27-04-2024

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Project acronym BeStMo

Catalysis beyond frontier molecular orbitals: Selectivity in partial hydrogenation of multi-unsaturated hydrocarbons on ...

Project: BeStMo

Updated at: 27-04-2024

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Project acronym BeStMo

Tailoring van der Waals dispersion interactions with external electric charges

Project: BeStMo

Updated at: 27-04-2024

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Project acronym BeStMo

Challenges for Machine Learning Force Fields in Reproducing Potential Energy Surfaces of Flexible Molecules

Project: BeStMo

Updated at: 27-04-2024

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Project acronym BeStMo

Accurate Machine Learned Quantum-Mechanical Force Fields for Biomolecular Simulations

Project: BeStMo

Updated at: 27-04-2024

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Project acronym BeStMo

Performance of various density-functional approximations for cohesive properties of 64 bulk solids

Project: BeStMo

Updated at: 27-04-2024

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Project acronym BeStMo

Combining Machine Learning and Computational Chemistry for Predictive Insights Into Chemical Systems

Project: BeStMo

Updated at: 27-04-2024

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Project acronym BeStMo

Quantum-mechanical force balance between multipolar dispersion and Pauli repulsion in atomic van der Waals dimers

Project: BeStMo

Updated at: 27-04-2024

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Project acronym BeStMo

Machine Learning Force Fields

Project: BeStMo

Updated at: 27-04-2024

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Project acronym BeStMo

Colossal Enhancement of Atomic Force Response in van der Waals Materials Arising from Many-Body Electronic Correlations

Project: BeStMo

Updated at: 27-04-2024

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Project acronym BeStMo

Dynamical strengthening of covalent and non-covalent molecular interactions by nuclear quantum effects at finite tempera...

Project: BeStMo

Updated at: 27-04-2024

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Project acronym BeStMo

QM7-X, a comprehensive dataset of quantum-mechanical properties spanning the chemical space of small organic molecules

Project: BeStMo

Updated at: 27-04-2024

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Project acronym BeStMo

Optical van-der-Waals forces in molecules: from electronic Bethe-Salpeter calculations to the many-body dispersion model

Project: BeStMo

Updated at: 27-04-2024

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Project acronym BeStMo

Improving molecular force fields across configurational space by combining supervised and unsupervised machine learning

Project: BeStMo

Updated at: 27-04-2024

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Project acronym BeStMo

Accurate Many-Body Repulsive Potentials for Density-Functional Tight Binding from Deep Tensor Neural Networks

Project: BeStMo

Updated at: 27-04-2024

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Project acronym BeStMo

BIGDML—Towards accurate quantum machine learning force fields for materials.

Project: BeStMo

Updated at: 27-04-2024

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Project acronym BeStMo

Density Functional Model for van der Waals Interactions: Unifying Many-Body Atomic Approaches with Nonlocal Functionals

Project: BeStMo

Updated at: 27-04-2024

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Project acronym BeStMo

Direct Measurement of Nonadditive van der Waals Forces From Graphene Nanostacks

Project: BeStMo

Updated at: 27-04-2024

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Project acronym BeStMo

Second Quantization Approach to Many-Body Dispersion Interactions

Project: BeStMo

Updated at: 27-04-2024

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Project acronym BeStMo

Comprehensive Quantum Framework for Describing Retarded and Non-Retarded Molecular Interactions in External Electric Fie...

Project: BeStMo

Updated at: 27-04-2024

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Project acronym BeStMo

Coulomb interactions between dipolar quantum fluctuations in van der Waals bound molecules and materials

Project: BeStMo

Updated at: 27-04-2024

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Project acronym BeStMo

Anisotropic van der Waals Dispersion Forces in Polymers: Structural Symmetry Breaking Leads to Enhanced Conformational S...

Project: BeStMo

Updated at: 27-04-2024

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Project acronym BeStMo

Accurate global machine learning force fields for molecules with hundreds of atoms

Project: BeStMo

Updated at: 27-04-2024

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Project acronym BeStMo

Nonadditivity of the Adsorption Energies of Linear Acenes on Au(111): Molecular Anisotropy and Many-Body Effects

Project: BeStMo

Updated at: 27-04-2024

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Project acronym BeStMo

Four-Dimensional Scaling of Dipole Polarizability in Quantum Systems

Project: BeStMo

Updated at: 27-04-2024

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Project acronym BeStMo

Machine Learning Meets Quantum Physics

Project: BeStMo

Updated at: 27-04-2024

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