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Papers matching “generalized gradient approximation” 54

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Reaction barriers at metal surfaces computed using the random phase approximation: Can we beat DFT in the generalized gradient approximation?
2024 The Journal of Chemical Physics article Physics and Astronomy Advanced Chemical Physics Studies Open access

B. Oudot, Katharina Doblhoff-Dier

16

citations
Density Functional Theory for Molecule–Metal Surface Reactions: When Does the Generalized Gradient Approximation Get It Right, and What to Do If It Does Not
2020 The Journal of Physical Chemistry Letters article Physics and Astronomy Advanced Chemical Physics Studies Open access

Egidius W. F. Smeets, Stefan Vuckovic, Katharina Doblhoff-Dier, Geert–Jan Kroes

86

citations
Improving Molecule-Metal Surface Reaction Networks Using the Meta-Generalized Gradient Approximation: CO2 Hydrogenation
2023 ChemRxiv preprint Physics and Astronomy Advanced Chemical Physics Studies Open access

Yuxiang Cai, Roel Michiels, Federica De Luca, Erik Cornelis Neyts, Xin Cheng Tu, Annemie Bogaerts, +1 more

2

citations
Improving Molecule-Metal Surface Reaction Networks Using the Meta-Generalized Gradient Approximation: CO2 Hydrogenation
2023 ChemRxiv preprint Physics and Astronomy Advanced Chemical Physics Studies Open access

Yuxiang Cai, Roel Michiels, Federica De Luca, Erik Cornelis Neyts, Xin Cheng Tu, Annemie Bogaerts, +1 more

1

citations
Improving Molecule–Metal Surface Reaction Networks Using the Meta-Generalized Gradient Approximation: CO 2 Hydrogenation
2024 The Journal of Physical Chemistry C article Physics and Astronomy Advanced Chemical Physics Studies Open access

Yuxiang Cai, Roel Michiels, Federica De Luca, Erik Cornelis Neyts, Xin Cheng Tu, Annemie Bogaerts, +1 more

9

citations
Non-Asymptotic Analysis of Projected Gradient Descent for Physics-Informed Neural Networks
2025 arXiv (Cornell University) preprint Physics and Astronomy Model Reduction and Neural Networks Open access

Jonas Nießen

0

citations
Electronic friction coefficients from the atom-in-jellium model for Z=1–92
2020 Physical review. B./Physical review. B article Physics and Astronomy Advanced Chemical Physics Studies Open access

Joseba Iñaki Juaristi, Jörg Meyer

13

citations
A Semiempirical Method to Detect and Correct DFT-Based Gas-Phase Errors and Its Application in Electrocatalysis
2020 ACS Catalysis article Physics and Astronomy Advanced Chemical Physics Studies Open access

Laura P. Granda‐Marulanda, Alejandra Rendón-Calle, Santiago Builes, Francesc Illas, Marc T. M. Koper, Federico Calle‐Vallejo

135

citations
Quantum Monte Carlo calculations on dissociative chemisorption of H2 + Al(110): Minimum barrier heights and their comparison to DFT values
2020 The Journal of Chemical Physics article Physics and Astronomy Advanced Chemical Physics Studies Open access

Geert–Jan Kroes, Katharina Doblhoff-Dier

26

citations
Fisher–Rao Gradient Flows of Linear Programs and State-Action Natural Policy Gradients
2025 SIAM Journal on Optimization article Computer Science Reinforcement Learning in Robotics Open access

Semih Çaycı, Guido Montúfar

2

citations
Fighting Newtonian noise with gradient-based optimization at the Einstein Telescope
2025 Classical and Quantum Gravity article Physics and Astronomy Pulsars and Gravitational Waves Research Open access

Patrick Schillings, J. Erdmann

1

citations
Golden parameter search
2020 Genetic and Evolutionary Computation Conference (GECCO) conference-paper Computer Science Metaheuristic Optimization Algorithms Research Open access cited by 1 patent

Yasha Pushak, Holger H. Hoos

12

citations
SpaceWalker: Interactive Gradient Exploration for Spatial Transcriptomics Data
2023 bioRxiv (Cold Spring Harbor Laboratory) preprint Biochemistry, Genetics and Molecular Biology Single-cell and spatial transcriptomics Open access

Chang Li, Julian Thijssen, Tamim Abdelaal, Thomas Höllt, Boudewijn P. F. Lelieveldt

2

citations
JuliaMolSim/DFTK.jl: v0.2.7
2021 Zenodo (CERN European Organization for Nuclear Research) software Physics and Astronomy Advanced Chemical Physics Studies Open access

Michael F. Herbst, Antoine Levitt, gkemlin, ssirajdine, Deeptendu Santra, Eric J. Berquist, +3 more

0

citations
Stateless neural meta-learning using second-order gradients
2022 Machine Learning article Computer Science Domain Adaptation and Few-Shot Learning Open access

Mike Huisman, Aske Plaat, Jan N. van Rijn

9

citations
How Quantum Evolution with Memory is Generated in a Time-Local Way
2021 RWTH Publications (RWTH Aachen) article Physics and Astronomy Quantum Mechanics and Applications Open access

24

citations
How Quantum Evolution with Memory is Generated in a Time-Local Way
2021 Physical Review X article Physics and Astronomy Advanced Thermodynamics and Statistical Mechanics Open access

21

citations
Normal-Tangential Flow Response to Edge Truncation in Capacitated Networks
2023 RWTH Publications (RWTH Aachen) conference-paper Computer Science Topological and Geometric Data Analysis Open access

Josef Hoppe, Michael T. Schaub

1

citations
More is less: inducing sparsity via overparameterization
2023 Information and Inference A Journal of the IMA article Engineering Sparse and Compressive Sensing Techniques

Hung-Hsu Chou, Johannes Maly, Holger Rauhut

9

citations
More is Less: Inducing Sparsity via Overparameterization
2021 arXiv (Cornell University) preprint Engineering Sparse and Compressive Sensing Techniques Open access

Hung-Hsu Chou, Johannes Maly, Holger Rauhut

1

citations
Finite Impulse Response Filters for Simplicial Complexes
2021 European Signal Processing Conference (EUSIPCO) conference-paper Computer Science Topological and Geometric Data Analysis Open access

Maosheng Yang, Elvin Isufi, Michael T. Schaub, Geert J. T. Leus

31

citations
Spiking neural networks for nonlinear regression of complex transient signals on sustainable neuromorphic processors
2024 npj Unconventional Computing article Engineering Advanced Memory and Neural Computing Open access

Marcus Stoffel, Saurabh Balkrishna Tandale

14

citations
A Noise‐Robust Monte Carlo Method for Electric Field Calculations in EMC3
2026 Contributions to Plasma Physics article Physics and Astronomy Magnetic confinement fusion research Open access

William De Deyn, Vince Maes, Giovanni Samaey

0

citations
A noise-robust Monte Carlo method for electric field calculations in EMC3
2025 arXiv (Cornell University) preprint Physics and Astronomy Magnetic confinement fusion research Open access

William De Deyn, Ruben De Wolf, Vince Maes, Giovanni Samaey

0

citations
Sensitivity Calculus and its Numerical Implementation for Multi-D Hyperbolic Balance Laws
2026 arXiv (Cornell University) preprint Engineering Computational Fluid Dynamics and Aerodynamics Open access

Olivia Dreßen, Michaël Herty, Adrian Kolb, Siegfried Müller

0

citations