Publication

Atom-centered potentials for describing London dispersion forces in density functional theory

Related publications (41)

About
Privacy
Disclaimer

Graph Chatbot

Chat with Graph Search

Ask any question about EPFL courses, lectures, exercises, research, news, etc. or try the example questions below.

DISCLAIMER: The Graph Chatbot is not programmed to provide explicit or categorical answers to your questions. Rather, it transforms your questions into API requests that are distributed across the various IT services officially administered by EPFL. Its purpose is solely to collect and recommend relevant references to content that you can explore to help you answer your questions.

Atom-centered potentials for describing London dispersion forces in density functional theory

Graph Chatbot

Chat with Graph Search

Advancing Computational Chemistry with Stochastic and Artificial Intelligence Approaches

Machine-learning the electronic density of states: electronic properties without quantum mechanics

Assessing the persistence of chalcogen bonds in solution with neural network potentials

Nonempirical hybrid functionals for advanced electronic-structure calculations

Deterministic and Statistical Approaches to Quantum Chemistry

Learning the electronic density of states in condensed matter

Predicting molecular dipole moments by combining atomic partial charges and atomic dipoles

Predicting molecular dipole moments by combining atomic partial charges and atomic dipoles

Peptide-Cation Systems: Conformational Search, Benchmark Evaluation, and Force Field Parameter Adjustment Using Regularized Linear Regression

The role of dispersion forces on the atomic structure of glassy chalcogenides: The case of GeSe4 and GeS4

Advancing Computational Chemistry with Stochastic and Artificial Intelligence Approaches

Machine-learning the electronic density of states: electronic properties without quantum mechanics

Nonempirical hybrid functionals for advanced electronic-structure calculations

Deterministic and Statistical Approaches to Quantum Chemistry

Predicting molecular dipole moments by combining atomic partial charges and atomic dipoles

The role of dispersion forces on the atomic structure of glassy chalcogenides: The case of GeSe4 and GeS4

Assessing the persistence of chalcogen bonds in solution with neural network potentials

Learning the electronic density of states in condensed matter

Peptide-Cation Systems: Conformational Search, Benchmark Evaluation, and Force Field Parameter Adjustment Using Regularized Linear Regression

Predicting molecular dipole moments by combining atomic partial charges and atomic dipoles