Unitary Entities Are the True "Atoms". [PDF]
Entropy (Basel)Jeynes C, Parker MC.
europepmc +1 more source
Projected Regression Methods for Inverting Fredholm Integrals: Formalism and Application to Analytical Continuation [PDF]
, 2016 Louis-François Arsenault +3 more
openalex
Revealing the Gauge Freedom in the Path-Integral Formalism [PDF]
, 1987 K. Harada, Izumi Tsutsui
openalex +1 more source
Uncertainty Calibration in Molecular Machine Learning: Comparing Evidential and Ensemble Approaches
Chemistry – A European Journal, EarlyView.ABSTRACT Machine learning (ML) models are increasingly used in quantum chemistry, but their reliability hinges on uncertainty quantification (UQ). In this study, we compare two prominent UQ paradigms—deep evidential regression (DER) and deep ensembles—on the QM9 and WS22 datasets, with a specific emphasis on the role of post hoc calibration.
Bidhan Chandra Garain +3 more
wiley +1 more source
The 3d Mixed BF Lagrangian 1-Form: A Variational Formulation of Hitchin's Integrable System. [PDF]
Commun Math PhysCaudrelier V +3 more
europepmc +1 more source
Basics Polyakov’s Quantum Surface Theory on the Formalism of Functional Integrals and Applications [PDF]
, 2012 Luiz C. L. Botelho
openalex +1 more source
ChemPhysChem, Volume 26, Issue 6, March 15, 2025.The solvation structure and dynamics of the SCN− anion in mixed N, N‐Dimethylformamide (DMF)‐water liquid solvents is investigated using classical molecular dynamics simulations. A preferential solvation of SCN− by the water molecules is observed in the first hydration shell, followed by a second shell consisting by both DMF and water molecules.
Ioannis Skarmoutsos, Ilias G. Karvounis
wiley +1 more source
Gravitational form factors of the Higgs boson. [PDF]
Eur Phys J C Part FieldsBeißner P +3 more
europepmc +1 more source
Lorentz-Covariant Quantization of Massless Non-Abelian Gauge Fields in The Hamiltonian Path-Integral Formalism [PDF]
, 2000 Jun-Chen Su
openalex +1 more source
Quenching the Hubbard Model: Comparison of Nonequilibrium Green's Function Methods
Contributions to Plasma Physics, EarlyView.ABSTRACT We benchmark nonequilibrium Green's function (NEGF) approaches for interaction quenches in the half‐filled Fermi–Hubbard model in one and two dimensions. We compare fully self‐consistent two‐time Kadanoff–Baym equations (KBE), the generalized Kadanoff–Baym ansatz (GKBA), and the recently developed NEGF‐based quantum fluctuations approach (NEGF‐
Jan‐Philip Joost +3 more
wiley +1 more source