Saved in:
| Main Authors: | Dear, Alexander J., Meisl, Georg, Hu, Jing, Knowles, Tuomas P. J., Linse, Sara |
|---|---|
| Format: | Preprint |
| Published: |
2025
|
| Subjects: | |
| Online Access: | https://arxiv.org/abs/2503.20941 |
| Tags: |
Add Tag
No Tags, Be the first to tag this record!
|
Similar Items
General integrated rate law for complex self-assembly reactions reveals the mechanism of amyloid-beta co-aggregation
by: Dear, Alexander J., et al.
Published: (2023)
by: Dear, Alexander J., et al.
Published: (2023)
Extended dissipaton theory with application to adatom-graphene composite
by: Su, Yu, et al.
Published: (2024)
by: Su, Yu, et al.
Published: (2024)
The seeding method: A test case for classical nucleation theory in small systems
by: Philippe, Thomas, et al.
Published: (2025)
by: Philippe, Thomas, et al.
Published: (2025)
Unexpected hydrogen dissociation in thymine: predictions from a novel coupled cluster theory
by: Kjønstad, Eirik F., et al.
Published: (2024)
by: Kjønstad, Eirik F., et al.
Published: (2024)
Extended dissipaton theory for higher-order bath couplings and application to non-Condon spectroscopy with anharmonicity
by: Zhu, Zi-Fan, et al.
Published: (2025)
by: Zhu, Zi-Fan, et al.
Published: (2025)
Coupled cluster theory for nonadiabatic dynamics: nuclear gradients and nonadiabatic couplings in similarity constrained coupled cluster theory
by: Kjønstad, Eirik F., et al.
Published: (2024)
by: Kjønstad, Eirik F., et al.
Published: (2024)
Multi-reference coupled cluster theory using the normal ordered exponential ansatz
by: Gunasekera, Alexander, et al.
Published: (2024)
by: Gunasekera, Alexander, et al.
Published: (2024)
Local topology and perestroikas in protein structure and folding dynamics
by: Begun, Alexander, et al.
Published: (2024)
by: Begun, Alexander, et al.
Published: (2024)
Formally exact fluorescence spectroscopy simulations for mesoscale molecular aggregates with $N^0$ scaling
by: Gera, Tarun, et al.
Published: (2025)
by: Gera, Tarun, et al.
Published: (2025)
Toward Reliable Spectroscopic Analysis of Reaction Kinetics in Polaritonic Chemistry
by: Vergauwe, Robrecht M. A., et al.
Published: (2026)
by: Vergauwe, Robrecht M. A., et al.
Published: (2026)
Density functional theory for fractional charge: Locality, size consistency, and exchange-correlation
by: Kong, Jing
Published: (2022)
by: Kong, Jing
Published: (2022)
Auxiliary field quantum Monte Carlo at the basis set limit: application to lattice constants
by: Humer, Moritz, et al.
Published: (2026)
by: Humer, Moritz, et al.
Published: (2026)
Constraint-aware functional cloning for stable and transferable machine-learned density functional theory
by: Navarro-Rodríguez, Sara, et al.
Published: (2026)
by: Navarro-Rodríguez, Sara, et al.
Published: (2026)
Critical point search and linear response theory for computing electronic excitation energies of molecular systems. Part I: General framework, application to Hartree-Fock and DFT
by: Grazioli, Laura, et al.
Published: (2025)
by: Grazioli, Laura, et al.
Published: (2025)
Generalized coupled cluster theory for ground and excited state intersections
by: Rossi, Federico, et al.
Published: (2024)
by: Rossi, Federico, et al.
Published: (2024)
rhodent: A Python package for analyzing real-time TDDFT response
by: Fojt, Jakub, et al.
Published: (2025)
by: Fojt, Jakub, et al.
Published: (2025)
Statistical theory of cumulant mapping in an imperfect apparatus
by: Patchkovskii, S., et al.
Published: (2024)
by: Patchkovskii, S., et al.
Published: (2024)
Analytical evaluation of ground state gradients in quantum electrodynamics coupled cluster theory
by: Lexander, Marcus Takvam, et al.
Published: (2024)
by: Lexander, Marcus Takvam, et al.
Published: (2024)
Non-extensive super-cluster states in aggregation with fragmentation
by: Brilliantov, Nikolai V., et al.
Published: (2021)
by: Brilliantov, Nikolai V., et al.
Published: (2021)
Catalytic Resonance Theory: Kinetics and Frequency Response of Light-Promoted Catalysis
by: Dauenhauer, Paul J
Published: (2025)
by: Dauenhauer, Paul J
Published: (2025)
Determining minimum energy conical intersections by enveloping the seam: exploring ground and excited state intersections in coupled cluster theory
by: Angelico, Sara, et al.
Published: (2024)
by: Angelico, Sara, et al.
Published: (2024)
Quantifying spin contamination in algebraic diagrammatic construction theory of electronic excitations
by: Stahl, Terrence L., et al.
Published: (2024)
by: Stahl, Terrence L., et al.
Published: (2024)
Liquid-liquid phase separation of proteins is modulated by amino acids in vitro and in vivo by regulating protein-protein interactions
by: Xu, Xufeng, et al.
Published: (2024)
by: Xu, Xufeng, et al.
Published: (2024)
The seeds of the future are in the present: A blind exploration of metastable states
by: Devergne, Timothée, et al.
Published: (2025)
by: Devergne, Timothée, et al.
Published: (2025)
A density-fitting implementation of the density-based basis-set correction method
by: Heßelmann, Andreas, et al.
Published: (2023)
by: Heßelmann, Andreas, et al.
Published: (2023)
Excited States from Restricted Open Shell Plane-Wave DFT
by: Sahre, Michael J., et al.
Published: (2026)
by: Sahre, Michael J., et al.
Published: (2026)
Revisiting Gauge-Independent Kinetic Energy Densities in Meta-GGAs and Local Hybrid Calculations of Magnetizabilities
by: Schattenberg, Caspar J., et al.
Published: (2023)
by: Schattenberg, Caspar J., et al.
Published: (2023)
Restricted Open-shell cluster Mean-Field theory for Strongly Correlated Systems
by: Bachhar, Arnab, et al.
Published: (2024)
by: Bachhar, Arnab, et al.
Published: (2024)
Modulating weak protein-protein cross-interactions by addition of free amino acids at millimolar concentrations
by: Winkler, Pamina M., et al.
Published: (2024)
by: Winkler, Pamina M., et al.
Published: (2024)
Quantum Chemistry Model of Surface Reactions and Kinetic Model of Diamond Growth: Effects of CH3 Radicals and C2H2 Molecules at Low-Temperatures CVD
by: Barsukov, Yuri, et al.
Published: (2024)
by: Barsukov, Yuri, et al.
Published: (2024)
A cell-level model to predict the spatiotemporal dynamics of neurodegenerative disease
by: Huang, Shih-Huan, et al.
Published: (2025)
by: Huang, Shih-Huan, et al.
Published: (2025)
Geometric theory of constrained Schrödinger dynamics with application to time-dependent density-functional theory on a finite lattice
by: Cancès, Eric, et al.
Published: (2026)
by: Cancès, Eric, et al.
Published: (2026)
Kinetic rates calculation via non-equilibrium dynamics
by: Stegani, Bruno, et al.
Published: (2025)
by: Stegani, Bruno, et al.
Published: (2025)
Spectral Map: Embedding Slow Kinetics in Collective Variables
by: Rydzewski, Jakub
Published: (2024)
by: Rydzewski, Jakub
Published: (2024)
Short-Time Infrequent Metadynamics for Improved Kinetics Inference
by: Blumer, Ofir, et al.
Published: (2024)
by: Blumer, Ofir, et al.
Published: (2024)
A theory of phonon induced friction on molecular adsorbates
by: Farahvash, Ardavan, et al.
Published: (2023)
by: Farahvash, Ardavan, et al.
Published: (2023)
Tailoring hot-carrier distributions of plasmonic nanostructures through surface alloying
by: Fojt, Jakub, et al.
Published: (2023)
by: Fojt, Jakub, et al.
Published: (2023)
Diagrammatic theory of the irreducible coupled-cluster self-energy
by: Coveney, Christopher J. N., et al.
Published: (2023)
by: Coveney, Christopher J. N., et al.
Published: (2023)
A universal phase-plane model for in vivo protein aggregation
by: Cotton, Matthew W., et al.
Published: (2025)
by: Cotton, Matthew W., et al.
Published: (2025)
Kinetic network in Milestoning: Clustering, reduction, and transition path analysis
by: Wang, Ru, et al.
Published: (2024)
by: Wang, Ru, et al.
Published: (2024)
Similar Items
-
General integrated rate law for complex self-assembly reactions reveals the mechanism of amyloid-beta co-aggregation
by: Dear, Alexander J., et al.
Published: (2023) -
Extended dissipaton theory with application to adatom-graphene composite
by: Su, Yu, et al.
Published: (2024) -
The seeding method: A test case for classical nucleation theory in small systems
by: Philippe, Thomas, et al.
Published: (2025) -
Unexpected hydrogen dissociation in thymine: predictions from a novel coupled cluster theory
by: Kjønstad, Eirik F., et al.
Published: (2024) -
Extended dissipaton theory for higher-order bath couplings and application to non-Condon spectroscopy with anharmonicity
by: Zhu, Zi-Fan, et al.
Published: (2025)