WTMAD-4: A Fair Weighting Scheme for GMTKN55
Fuente:
arXiv
Saved in:
| Main Authors: | Bryenton, Kyle R., Johnson, Erin R. |
|---|---|
| Format: | Preprint |
| Published: |
2025
|
| Subjects: | |
| Online Access: | |
| Tags: |
Add Tag
No Tags, Be the first to tag this record!
|
Similar Items
Consistent GMTKN55 and molecular-crystal accuracy using minimally empirical DFT with XDM(Z) dispersion
by: Bryenton, Kyle R., et al.
Published: (2026)
by: Bryenton, Kyle R., et al.
Published: (2026)
The exchange-correlation dipole moment dispersion method
by: Bryenton, Kyle R, et al.
Published: (2025)
by: Bryenton, Kyle R, et al.
Published: (2025)
The effects of dispersion damping and three-body interactions for accurate layered-material exfoliation energies
by: Rumson, Adrian F., et al.
Published: (2026)
by: Rumson, Adrian F., et al.
Published: (2026)
Application of Correlated-Wavefunction and Density-Functional Theories to Endofullerenes: A Cautionary Tale
by: Panchagnula, K., et al.
Published: (2025)
by: Panchagnula, K., et al.
Published: (2025)
Reducing Weighted Ensemble Variance With Optimal Trajectory Management
by: Ryu, Won Hee, et al.
Published: (2025)
by: Ryu, Won Hee, et al.
Published: (2025)
Scheme for Deterministic Loading of Laser-Cooled Molecules into Optical Tweezers
by: Walraven, Etienne F., et al.
Published: (2024)
by: Walraven, Etienne F., et al.
Published: (2024)
Size-Consistent Adiabatic Connection Functionals via Orbital-Based Matrix Interpolation
by: Bystrom, Kyle, et al.
Published: (2025)
by: Bystrom, Kyle, et al.
Published: (2025)
Targeting spectroscopic accuracy for dispersion bound systems from ab initio techniques: translational eigenstates of Ne@C$_{70}$
by: Panchagnula, K., et al.
Published: (2024)
by: Panchagnula, K., et al.
Published: (2024)
How Symmetry Governs the Dihedral Angle Dependence of Intermolecular Spin-Orbit Coupling
by: Garzon-Ramirez, Antonio J., et al.
Published: (2026)
by: Garzon-Ramirez, Antonio J., et al.
Published: (2026)
Robust inversion of time-resolved data via forward-optimisation in a trajectory basis
by: Acheson, Kyle, et al.
Published: (2022)
by: Acheson, Kyle, et al.
Published: (2022)
Addressing the Band Gap Problem with a Machine-Learned Exchange Functional
by: Bystrom, Kyle, et al.
Published: (2024)
by: Bystrom, Kyle, et al.
Published: (2024)
Comparing Perturbative and Commutator-Rank-Based Truncation Schemes in Unitary Coupled-Cluster Theory
by: Phillips, Justin T., et al.
Published: (2025)
by: Phillips, Justin T., et al.
Published: (2025)
Flexible Framework for Surface Hopping: From Hybrid Schemes for Machine Learning to Benchmarkable Nonadiabatic Dynamics
by: Martinka, Jakub, et al.
Published: (2025)
by: Martinka, Jakub, et al.
Published: (2025)
Improved Memory Truncation Scheme for Quasi-Adiabatic Propagator Path Integral via Influence Functional Renormalization
by: Liu, Limin, et al.
Published: (2024)
by: Liu, Limin, et al.
Published: (2024)
Enhancing the Accuracy of XPS Calculations: Exploring Hybrid Basis Set Schemes for CVS-EOMIP-CCSD Calculations
by: Delgado, Alexis A. A., et al.
Published: (2024)
by: Delgado, Alexis A. A., et al.
Published: (2024)
Richardson-Gaudin states of non-zero seniority II: Single-reference treatment of strong correlation
by: Johnson, Paul A.
Published: (2025)
by: Johnson, Paul A.
Published: (2025)
A State-Specific Iterative Decoupling Scheme Based on Perturbation Theory for Low-Energy Electronic States
by: Bindech, Oussama, et al.
Published: (2025)
by: Bindech, Oussama, et al.
Published: (2025)
X-ray Absorption Spectra for Aqueous Ammonia and Ammonium: Quantum Mechanical versus Molecular Mechanical Embedding Schemes
by: Folkestad, Sarai Dery, et al.
Published: (2024)
by: Folkestad, Sarai Dery, et al.
Published: (2024)
Coherent transient exciton transport in disordered polaritonic wires
by: Aroeira, Gustavo J. R., et al.
Published: (2023)
by: Aroeira, Gustavo J. R., et al.
Published: (2023)
Weighted Active Space Protocol for Multireference Machine-Learned Potentials
by: Seal, Aniruddha, et al.
Published: (2025)
by: Seal, Aniruddha, et al.
Published: (2025)
Mixed Planewave and Localized Orbital Basis for Sparse-Stochastic Hybrid TDDFT
by: Chen, Kyle, et al.
Published: (2025)
by: Chen, Kyle, et al.
Published: (2025)
Enhancing the Computational Efficiency of the DoNOF Program through a New Orbital Sorting Scheme
by: Boutou, Élodie, et al.
Published: (2025)
by: Boutou, Élodie, et al.
Published: (2025)
Attosecond Probing of Coherent Vibrational Dynamics in CBr$_4$
by: Ou, Jen-Hao, et al.
Published: (2024)
by: Ou, Jen-Hao, et al.
Published: (2024)
Internal Trajectories and Observation Effects in Langevin Splitting Schemes
by: Keller, Bettina G.
Published: (2026)
by: Keller, Bettina G.
Published: (2026)
Nonlocal Machine-Learned Exchange Functional for Molecules and Solids
by: Bystrom, Kyle, et al.
Published: (2023)
by: Bystrom, Kyle, et al.
Published: (2023)
Chromatographic Peak Shape from Stochastic Model: Analytic Time-Domain Expression in Terms of Physical Parameters and Conditions under which Heterogeneity Reduces Tailing
by: Sánchez, Hernán R.
Published: (2025)
by: Sánchez, Hernán R.
Published: (2025)
Revisiting the thermochemistry of chlorine fluorides
by: Sánchez, H. R.
Published: (2016)
by: Sánchez, H. R.
Published: (2016)
Latent space design of interatomic potentials
by: Atlas, Susan R.
Published: (2026)
by: Atlas, Susan R.
Published: (2026)
Prediction of the inner-shell contribution to the correlation energy through DLPNO-CEPA/1 and Scaled same-spin second order Møller-Plesset perturbation theory
by: Sánchez, Hernán R.
Published: (2019)
by: Sánchez, Hernán R.
Published: (2019)
Chromatographic Peak Shape from a Stochastic-Diffusive Model with Multiple Retention Mechanisms: Analytic Time-Domain Expression and Derivatives
by: Sánchez, Hernán R.
Published: (2026)
by: Sánchez, Hernán R.
Published: (2026)
A Reverse Non-Equilibrium Molecular Dynamics (RNEMD) Algorithm for Coupled Mass and Heat Transport in Mixtures
by: Drisko, Cody R., et al.
Published: (2024)
by: Drisko, Cody R., et al.
Published: (2024)
Speed of sound for three binary ($CH_{4}$ + $H_{2}$) mixtures from $p$ = (0.5 up to 20) MPa at $T$ = (273.16 to 375) K
by: Lozano-Martín, Daniel, et al.
Published: (2024)
by: Lozano-Martín, Daniel, et al.
Published: (2024)
Enhanced Biogas Production via Anaerobic Co-Digestion of Slaughterhouse and Food Waste Using Ferric Oxide as a Sustainable Conductive Material
by: Almendrala, Michelle C., et al.
Published: (2025)
by: Almendrala, Michelle C., et al.
Published: (2025)
Mean-Field Ring Polymer Rates Using a Population Dividing Surface
by: London, Nathan, et al.
Published: (2024)
by: London, Nathan, et al.
Published: (2024)
Analytic Nuclear Gradients for Complete Active Space Linearized Pair-Density Functional Theory
by: Hennefarth, Matthew R., et al.
Published: (2024)
by: Hennefarth, Matthew R., et al.
Published: (2024)
A Size-Consistent Multi-State Mapping Approach to Surface Hopping
by: Lawrence, Joseph E., et al.
Published: (2024)
by: Lawrence, Joseph E., et al.
Published: (2024)
Understanding inner-shell excitations in molecules through spectroscopy of the 4f hole states of YbF
by: Popa, S., et al.
Published: (2024)
by: Popa, S., et al.
Published: (2024)
MixPI: Mixed-Time Slicing Path Integral Software for Quantized Molecular Dynamics Simulations
by: Johnson, Britta A., et al.
Published: (2024)
by: Johnson, Britta A., et al.
Published: (2024)
Quantum Quality with Classical Cost: Ab Initio Nonadiabatic Dynamics Simulations using the Mapping Approach to Surface Hopping
by: Mannouch, Jonathan R., et al.
Published: (2024)
by: Mannouch, Jonathan R., et al.
Published: (2024)
Effective core potentials as a pathway to self-interaction error correction: a proof-of-concept study on one-electron systems
by: Lonsdale, Dale R., et al.
Published: (2024)
by: Lonsdale, Dale R., et al.
Published: (2024)
Similar Items
-
Consistent GMTKN55 and molecular-crystal accuracy using minimally empirical DFT with XDM(Z) dispersion
by: Bryenton, Kyle R., et al.
Published: (2026) -
The exchange-correlation dipole moment dispersion method
by: Bryenton, Kyle R, et al.
Published: (2025) -
The effects of dispersion damping and three-body interactions for accurate layered-material exfoliation energies
by: Rumson, Adrian F., et al.
Published: (2026) -
Application of Correlated-Wavefunction and Density-Functional Theories to Endofullerenes: A Cautionary Tale
by: Panchagnula, K., et al.
Published: (2025) -
Reducing Weighted Ensemble Variance With Optimal Trajectory Management
by: Ryu, Won Hee, et al.
Published: (2025)