Cover Image

The Entropic Barrier around the Conical Intersection Seam

Fuente: arXiv

Saved in:

Bibliographic Details
Main Authors:	Dietschreit, Johannes C. B., Mai, Sebastian, González, Leticia
Format:	Preprint
Published:	2026
Subjects:	Chemical Physics
Online Access:	Acceder al recurso
Tags:	Add Tag No Tags, Be the first to tag this record!

Similar Items

Quantum Simulation of Conical Intersections
by: Wang, Yuchen, et al.
Published: (2024)

NATPS: Nonadiabatic Transition Path Sampling Using Time-Reversible MASH Dynamics
by: Yang, Xiran, et al.
Published: (2026)

Restoring the Conical Intersection Topology using Convex Density Functional Theory
by: Rossi, Federico, et al.
Published: (2026)

Optimizing Conical Intersections Without Explicit Use of Non-Adiabatic Couplings
by: García, Juan Sanz, et al.
Published: (2024)

Excited-state nonadiabatic dynamics in explicit solvent using machine learned interatomic potentials
by: Tiefenbacher, Maximilian X., et al.
Published: (2025)

Conical Intersections and Electronic Momentum As Viewed From Phase Space Electronic Structure Theory
by: Duston, Titouan, et al.
Published: (2025)

On the Simulation of Conical Intersections in Water and Methanimine Molecules Via Variational Quantum Algorithms
by: Belaloui, Samir, et al.
Published: (2025)

Crossing Seam Blockade
by: Liu, Ruoxi, et al.
Published: (2026)

Analytical Nuclear Gradients for State-Averaged Configuration Interaction Singles Variants: Application to Conical Intersections
by: Tsuchimochi, Takashi
Published: (2026)

Simulating Passage through a Cascade of Conical Intersections with Collapse-to-a-Block Molecular Dynamics
by: Liang, Fangchun, et al.
Published: (2024)

Noncollinear Spin-Flip TDDFT for Potential Energy Surface Crossings: Conical Intersections and Spin Crossings
by: Zhang, Xiaoyu, et al.
Published: (2025)

Learning Collective Variables with Synthetic Data Augmentation through Physics-Inspired Geodesic Interpolation
by: Yang, Soojung, et al.
Published: (2024)

Symmetry Adapted Residual Neural Network Diabatization: Conical Intersections in Aniline Photodissociation
by: Shen, Yifan, et al.
Published: (2024)

Marcus Theory and The Condon Approximation Revisited I: E-SHAKE and Seam Sampling
by: Cofer-Shabica, D. Vale, et al.
Published: (2025)

Dynamic Response of Ionic Current in Conical Nanopores
by: Liu, Zhe, et al.
Published: (2024)

Modulation of Memristive Characteristics by Dynamic Nanoprecipitation inside Conical Nanopores
by: Liu, Zhe, et al.
Published: (2025)

Reweighting free energy profiles between universal machine learning interatomic potentials for fast consensus building
by: Majumdar, Sauradeep, et al.
Published: (2026)

Rigorous Quantum Thermodynamics from Entropic Path Integral Coarse-Graining
by: Shen, Jing, et al.
Published: (2026)

Excited States from Restricted Open Shell Plane-Wave DFT
by: Sahre, Michael J., et al.
Published: (2026)

Instanton Theory for Nonadiabatic Tunneling through Near-Barrier Crossings
by: Ye, Ziyan, et al.
Published: (2025)

A Chemical Space Perspective on Diastereomeric Barriers in Alkylperoxy-to-Hydroperoxyalkyl Isomerization
by: Ramakrishnan, Raghunathan
Published: (2026)

Kinetics of Barrier Crossing Events from Temperature Accelerated Sliced Sampling Simulations
by: Saurav, Sameer, et al.
Published: (2025)

Entropic Trapping of Hard Spheres in Spherical Confinement
by: Bommineni, Praveen K., et al.
Published: (2026)

Renormalization group approach to second-order Green's function theory
by: Krieger, Joshua, et al.
Published: (2025)

Nudged-Elastic Band Calculations of Polymorph Transitions and Solid-State Reactions in Molecular Crystals
by: Goncharova, Natalia, et al.
Published: (2024)

Enhanced Representation-Based Sampling for the Efficient Generation of Datasets for Machine-Learned Interatomic Potentials
by: Schäfer, Moritz René, et al.
Published: (2026)

The V30 Benchmark Set for Anharmonic Vibrational Frequencies of Molecular Dimers
by: Hoja, Johannes, et al.
Published: (2022)

Magnetic properties of polyacetylene: Exploring electronic correlation effects through first-principles modeling
by: Nokelainen, Johannes, et al.
Published: (2024)

A Multimer Embedding Approach for Molecular Crystals up to Harmonic Vibrational Properties
by: Hoja, Johannes, et al.
Published: (2022)

pH-sensitive spontaneous decay of functionalised carbon dots in solutions
by: Dilshener, Denise, et al.
Published: (2024)

ReaxFF Simulations of Self-Assembled Monolayers On Silver Surfaces and Nanocrystals
by: Lahouari, Adam, et al.
Published: (2023)

Multi-State Formulation of the Frozen-Density Embedding Quasi-Diabatization Approach
by: Eschenbach, Patrick, et al.
Published: (2021)

Potential-Barrier Affinity Effect in Solid Systems
by: Xu, Qiang, et al.
Published: (2025)

How to Train a Shallow Ensemble
by: Schäfer, Moritz, et al.
Published: (2026)

Fully Analytic Nuclear Gradients for the Bethe--Salpeter Equation
by: Tölle, Johannes, et al.
Published: (2025)

Fragment-Based Configuration Interaction: Towards a Unifying Description of Biexcitonic Processes in Molecular Aggregates
by: Adelsperger, Johannes E., et al.
Published: (2026)

Machine learning for accuracy in density functional approximations
by: Voss, Johannes
Published: (2023)

Fully analytic G$_0$W$_0$ nuclear gradients
by: Tölle, Johannes
Published: (2024)

Breaking the Timescale Barrier: Generative Discovery of Conformational Free-Energy Landscapes and Transition Pathways
by: Tang, Chenyu, et al.
Published: (2025)

Molecular Pseudorotation in Phthalocyanines as a Tool for Magnetic Field Control at the Nanoscale
by: Wilhelmer, Raphael, et al.
Published: (2025)