:: Library Catalog

Cover Image

Saved in:

Bibliographic Details
Main Authors:	Pessoa, Allison R., Menezes, Leonardo de S., Amaral, Anderson M.
Format:	Preprint
Published:	2025
Subjects:	Chemical Physics
Online Access:	https://arxiv.org/abs/2502.17376
Tags:	Add Tag No Tags, Be the first to tag this record!

Similar Items

Boltzmann Thermometry at Cryogenic Temperatures Exploiting Stark Sublevels in Er$^{3+}$/Yb$^{3+}$-Codoped Yttrium Oxide Nanoparticles
by: Possmayer, Thomas, et al.
Published: (2025)

Absolute Primary Nanothermometry Using Individual Stark Sublevels of Rare-Earth-doped Crystals
by: Pessoa, Allison R., et al.
Published: (2026)

Understanding Discrepancies of Wavefunction Theories for Large Molecules
by: Schäfer, Tobias, et al.
Published: (2024)

Precise Determination of Excited State Rotational Constants and Black-Body Thermometry in Coulomb Crystals of Ca$^+$ and CaH$^+$
by: Patel, Swapnil, et al.
Published: (2024)

Experimental Evidence of Quantum Drude Oscillator Behavior in Liquids Revealed with Probabilistic Iterative Boltzmann Inversion
by: Shanks, Brennon L., et al.
Published: (2025)

Accelerated Hydrogen Exchange Reaction in a Dark Cavity: A Benchmark for Bridging the Gap Between Theory and Experiment
by: Berenstein, Victor, et al.
Published: (2025)

Integrating Experiment with Theory to Determine the Structure of Electrode-Electrolyte Interfaces
by: Bonagiri, Lalith Krishna Samanth, et al.
Published: (2024)

Boltzmann priors for Implicit Transfer Operators
by: Diez, Juan Viguera, et al.
Published: (2024)

Resolving Discrepancies in Disjoining Pressure Predictions for Liquid Nanofilms from Molecular Simulations
by: Yang, Yafan, et al.
Published: (2026)

Transferable Boltzmann Generators
by: Klein, Leon, et al.
Published: (2024)

Drifting to Boltzmann: Million-Fold Acceleration in Boltzmann Sampling with Force-Guided Drifting
by: Hu, Pipi
Published: (2026)

Exploring the Interplay Between Formation Mechanisms and Luminescence of Lignin Carbon Quantum Dots from Spruce Biomass
by: Djaniš, Jelena Papan, et al.
Published: (2025)

Evidence of orbital mixing upon ionization via Cooper minimum photoelectron dynamics in epichlorohydrin. Experiment and Theory
by: Schio, L., et al.
Published: (2026)

Completely Multipolar Model for Many-Body Water-Ion and Ion-Ion Interactions
by: Heindel, J. P., et al.
Published: (2024)

Addressing limitations of the endpoint slippage analysis
by: Rodrigues, Marco-Tulio F.
Published: (2024)

Luminescent Trityl-based Diradicaloids: A Theoretical and Experimental Assessment of Charge-Resonance in Low-Lying Excited States
by: Mesto, Davide, et al.
Published: (2024)

Density-Matrix Embedding Based Multi-Configurational Perturbation Theory Approach to Single-Ion Magnets
by: Guan, Zhe-Bin, et al.
Published: (2025)

Time-Dependent Density Functional Theory Simulation for Analyzing Neutralization Process of Hydrogen Ion Injected onto Tungsten Surfaces
by: Toda, Yuto, et al.
Published: (2024)

On Boltzmann Averaging in Ab Initio Thermodynamics
by: Heenen, Hendrik H., et al.
Published: (2025)

Optically Addressing Circularly-Polarized Vibrations in Molecules
by: Lin, Chientzu, et al.
Published: (2025)

Efficient Calculation of Absorption Spectra of Platinum Complexes Used as Luminescent Probes for Cancer Detection
by: Nguyen, Lena T. T., et al.
Published: (2026)

Offset-Free Robust Nonlinear Control Using Data-Driven Model: A Nonlinear Multi-Model Computationally Efficient Approach
by: Rebello, Carine Menezes, et al.
Published: (2025)

Cavity-Enhanced High-order Harmonic Generation for High-Performance Time-resolved Photoemission Experiments
by: Allison, Thomas K., et al.
Published: (2024)

Density Matrix Embedding Theory-Based Multi-Configurational Quantum Chemistry Approach to Lanthanide Single-Ion Magnets
by: Ai, Yuhang, et al.
Published: (2025)

Avoiding matrix exponentials for large transition rate matrices
by: Pessoa, Pedro, et al.
Published: (2023)

Herman-Kluk-Like Semi-Classical Initial-Value Representation for Boltzmann Operator
by: Wang, Binhao, et al.
Published: (2025)

Flow Perturbation to Accelerate Unbiased Sampling of Boltzmann distribution
by: Peng, Xin, et al.
Published: (2024)

Transfer Learning Meets Embedded Correlated Wavefunction Theory for Chemically Accurate Molecular Simulations: Application to Calcium Carbonate Ion-Pairing
by: Bian, Xuezhi, et al.
Published: (2026)

Addressing the Band Gap Problem with a Machine-Learned Exchange Functional
by: Bystrom, Kyle, et al.
Published: (2024)

ExPUFFIN: Thermodynamic Consistent Viscosity Prediction in an Extended Path-Unifying Feed-Forward Interfaced Network
by: Rebello, Carine Menezes, et al.
Published: (2025)

Coarse-Grained Boltzmann Generators
by: Chen, Weilong, et al.
Published: (2026)

Delta-learned force fields for nonbonded interactions: Addressing the strength mismatch between covalent-nonbonded interaction for global models
by: Cázares-Trejo, Leonardo, et al.
Published: (2025)

Allostery Beyond Amplification: Temporal Regulation of Signaling Information
by: Pessoa, Pedro, et al.
Published: (2026)

Reduced Density Matrix Functional Theory And A Reduced Formulation Of Density Functional Theory
by: Fredheim, Håkon R., et al.
Published: (2025)

Magnetically Assisted Separation of Weakly Magnetic Metal Ions in Porous Media.Part 1: Experiments
by: Nwachukwu, Alwell, et al.
Published: (2025)

Ion Trap Geometry
by: Krylov, Evgeny V
Published: (2025)

Imaging the Photochemistry of Cyclobutanone using Ultrafast Electron Diffraction: Experimental Results
by: Green, A. E., et al.
Published: (2025)

Natural orbitals and sparsity of quantum mutual information
by: Ratini, Leonardo, et al.
Published: (2023)

Active learning of Boltzmann samplers and potential energies with quantum mechanical accuracy
by: Molina-Taborda, Ana, et al.
Published: (2024)

Velocity Formulations for Hyper-Rayleigh Scattering Optical Activity Spectroscopy: Addressing the Origin-dependence Problem
by: Bonvicini, Andrea, et al.
Published: (2026)