Fabijan Pavošević

Publication Activity (10 Years)

Years Active: 2021-2024
Publications (10 Years): 26

Top Topics

Density Functional Theory

Energy Transfer

Virtual Reality

Top Venues

The journal of physical chemistry letters

The journal of physical chemistry. A

Nature communications

Journal of chemical theory and computation

This page only lists publications with an associated author ORCID identifier.

Publications

Anton Nykänen, Leander Thiessen, Elsi-Mari Borrelli, Vijay Krishna, Stefan Knecht, Fabijan Pavošević
Toward Accurate Calculation of Excitation Energies on Quantum Computers with ΔADAPT-VQE: A Case Study of BODIPY Derivatives. The journal of physical chemistry letters (2024)
Mikuláš Matoušek, Katarzyna Pernal, Fabijan Pavošević, Libor Veis
Variational Quantum Eigensolver Boosted by Adiabatic Connection. The journal of physical chemistry. A 128 (3) (2024)
Anton Nykänen, Leander Thiessen, Elsi-Mari Borrelli, Vijay Krishna, Stefan Knecht, Fabijan Pavošević
Toward Accurate Calculation of Excitation Energies on Quantum Computers with ΔADAPT-VQE: A Case Study of BODIPY Derivatives. The journal of physical chemistry letters 15 (28) (2024)
Mikuláš Matoušek, Katarzyna Pernal, Fabijan Pavošević, Libor Veis
Variational Quantum Eigensolver Boosted by Adiabatic Connection. The journal of physical chemistry. A 128 (3) (2024)
Mohammad Hassan, Fabijan Pavošević, Jaime Gómez Rivas, Johannes Flick
Simulating Polaritonic Ground States on Noisy Quantum Devices. The journal of physical chemistry letters 15 (5) (2024)
Mohammad Hassan, Fabijan Pavošević, Jaime Gómez Rivas, Johannes Flick
Simulating Polaritonic Ground States on Noisy Quantum Devices. The journal of physical chemistry letters (2024)
Mikuláš Matoušek, Katarzyna Pernal, Fabijan Pavošević, Libor Veis
Variational Quantum Eigensolver Boosted by Adiabatic Connection. The journal of physical chemistry. A (2024)
Fabijan Pavošević, Robert L Smith, Angel Rubio
Computational study on the catalytic control of endo/exo Diels-Alder reactions by cavity quantum vacuum fluctuations. Nature communications 14 (1) (2023)
Max Rossmannek, Fabijan Pavošević, Angel Rubio, Ivano Tavernelli
Quantum Embedding Method for the Simulation of Strongly Correlated Systems on Quantum Computers. The journal of physical chemistry letters (2023)
Pavel Beran, Katarzyna Pernal, Fabijan Pavošević, Libor Veis
Projection-Based Density Matrix Renormalization Group in Density Functional Theory Embedding. The journal of physical chemistry letters (2023)
Fabijan Pavošević, Robert L Smith, Angel Rubio
Cavity Click Chemistry: Cavity-Catalyzed Azide-Alkyne Cycloaddition. The journal of physical chemistry. A (2023)
Yang Guo, Fabijan Pavošević, Kantharuban Sivalingam, Ute Becker, Edward F Valeev, Frank Neese
SparseMaps-A systematic infrastructure for reduced-scaling electronic structure methods. VI. Linear-scaling explicitly correlated N-electron valence state perturbation theory with pair natural orbital. The Journal of chemical physics 158 (12) (2023)
Anton Nykänen, Aaron Miller, N Walter Talarico, Stefan Knecht, Arseny Kovyrshin, Mårten Skogh, Lars Tornberg, Anders Broo, Stefano Mensa, Benjamin C B Symons, Emre Sahin, Jason Crain, Ivano Tavernelli, Fabijan Pavošević
Toward Accurate Post-Born-Oppenheimer Molecular Simulations on Quantum Computers: An Adaptive Variational Eigensolver with Nuclear-Electronic Frozen Natural Orbitals. Journal of chemical theory and computation (2023)
Pavel Beran, Katarzyna Pernal, Fabijan Pavošević, Libor Veis
Projection-Based Density Matrix Renormalization Group in Density Functional Theory Embedding. The journal of physical chemistry letters 14 (3) (2023)
Fabijan Pavošević, Robert L Smith, Angel Rubio
Computational study on the catalytic control of endo/exo Diels-Alder reactions by cavity quantum vacuum fluctuations. Nature communications 14 (1) (2023)
Fabijan Pavošević, Ivano Tavernelli, Angel Rubio
Spin-Flip Unitary Coupled Cluster Method: Toward Accurate Description of Strong Electron Correlation on Quantum Computers. The journal of physical chemistry letters (2023)
Fabijan Pavošević, Robert L Smith, Angel Rubio
Computational study on the catalytic control of endo/exo Diels-Alder reactions by cavity quantum vacuum fluctuations. Nature communications 14 (1) (2023)
Pavel Beran, Katarzyna Pernal, Fabijan Pavošević, Libor Veis
Projection-Based Density Matrix Renormalization Group in Density Functional Theory Embedding. The journal of physical chemistry letters 14 (3) (2023)
Jonathan H Fetherolf, Fabijan Pavošević, Zhen Tao, Sharon Hammes-Schiffer
Multicomponent Orbital-Optimized Perturbation Theory with Density Fitting: Anharmonic Zero-Point Energies in Protonated Water Clusters. The journal of physical chemistry letters 13 (24) (2022)
Fabijan Pavošević, Sharon Hammes-Schiffer, Angel Rubio, Johannes Flick
Cavity-Modulated Proton Transfer Reactions. Journal of the American Chemical Society 144 (11) (2022)
Zhen Tao, Saswata Roy, Patrick E Schneider, Fabijan Pavošević, Sharon Hammes-Schiffer
Analytical Gradients for Nuclear-Electronic Orbital Time-Dependent Density Functional Theory: Excited-State Geometry Optimizations and Adiabatic Excitation Energies. Journal of chemical theory and computation 17 (8) (2021)
Luning Zhao, Andrew Wildman, Fabijan Pavošević, John C Tully, Sharon Hammes-Schiffer, Xiaosong Li
Correction to "Excited State Intramolecular Proton Transfer with Nuclear-Electronic Orbital Ehrenfest Dynamics". The journal of physical chemistry letters 12 (19) (2021)
Fabijan Pavošević, Johannes Flick
Polaritonic Unitary Coupled Cluster for Quantum Computations. The journal of physical chemistry letters 12 (37) (2021)
Fabijan Pavošević, Sharon Hammes-Schiffer
Multicomponent Unitary Coupled Cluster and Equation-of-Motion for Quantum Computation. Journal of chemical theory and computation 17 (6) (2021)
Fabijan Pavošević, Zhen Tao, Sharon Hammes-Schiffer
Multicomponent Coupled Cluster Singles and Doubles with Density Fitting: Protonated Water Tetramers with Quantized Protons. The journal of physical chemistry letters 12 (6) (2021)
Luning Zhao, Andrew Wildman, Fabijan Pavošević, John C Tully, Sharon Hammes-Schiffer, Xiaosong Li
Excited State Intramolecular Proton Transfer with Nuclear-Electronic Orbital Ehrenfest Dynamics. The journal of physical chemistry letters 12 (14) (2021)