Search

7 results in Authors: Stefan Vuckovic

Theoretical and Computational Chemistry

Working Paper

Real-space machine learning of correlation density functionals

Elias Polak, Heng Zhao, Stefan Vuckovic

Version 2 posted 16 September 2024

359

Downloads

Theoretical and Computational Chemistry

Working Paper

Fully Nonlocal Functionals Along the Adiabatic Connection of Density Functional Theory

Stefan Vuckovic

Version 1 posted 13 February 2019

701

Downloads

Theoretical and Computational Chemistry

Working Paper

Quantification of geometric errors made simple: application to main-group molecular structures

Stefan Vuckovic

Version 1 posted 16 November 2021

151

Downloads

Theoretical and Computational Chemistry

Working Paper

Range-Separation and the Multiple Radii Functional Approximation Inspired by the Strongly Interacting Limit of Density Functional Theory

Stefan Vuckovic, Tim Gould

Version 1 posted 27 August 2019

640

Downloads

Theoretical and Computational Chemistry

Working Paper

Nonlocal functionals inspired by the strongly interacting limit of DFT: exact constraints and implementation

Stefan Vuckovic, Hilke Bahmann

Version 1 posted 27 April 2023

208

Downloads

Theoretical and Computational Chemistry

Working Paper

Deep Mind 21 functional does not extrapolate to transition metal chemistry

Heng Zhao, Tim Gould, Stefan Vuckovic

Version 1 posted 29 February 2024

467

Downloads

Theoretical and Computational Chemistry

Working Paper

Transferable diversity – a data-driven representation of chemical space

Tim Gould, Bun Chang, Stephen Dale, Stefan Vuckovic

Version 3 posted 29 April 2024

678

Downloads

Search

Refine Search

7 results in Stefan Vuckovic in Authors: Stefan Vuckovic

Real-space machine learning of correlation density functionals

Fully Nonlocal Functionals Along the Adiabatic Connection of Density Functional Theory

Quantification of geometric errors made simple: application to main-group molecular structures

Range-Separation and the Multiple Radii Functional Approximation Inspired by the Strongly Interacting Limit of Density Functional Theory

Nonlocal functionals inspired by the strongly interacting limit of DFT: exact constraints and implementation

Deep Mind 21 functional does not extrapolate to transition metal chemistry

Transferable diversity – a data-driven representation of chemical space

7 results in Authors: Stefan Vuckovic