Roland Lindh
Uppsala Universitet
H-index: 78
Europe-Sweden
Top articles of Roland Lindh
Title | Journal | Author(s) | Publication Date |
|---|---|---|---|
A Story of Three Levels of Sophistication in SCF/KS-DFT Orbital Optimization Procedures | The Journal of Physical Chemistry A | Daniel Sethio Emily Azzopardi Ignacio Fdez. Galván Roland Lindh | 2024/3/14 |
The versatility of the Cholesky decomposition in electronic structure theory | Thomas Bondo Pedersen Susi Lehtola Ignacio Fdez. Galván Roland Lindh | 2024/1 | |
Minimum-Energy Conical Intersections by Compressed Multistate Pair-Density Functional Theory | The Journal of Physical Chemistry A | Paul B Calio Matthew R Hermes Jie J Bao Ignacio Fdez Galván Roland Lindh | 2024/2/26 |
Ultrafast electronic relaxation pathways of the molecular photoswitch quadricyclane | Nature Chemistry | Kurtis D Borne Joseph C Cooper Michael NR Ashfold Julien Bachmann Surjendu Bhattacharyya | 2024/2/2 |
Transient spectroscopy from time-dependent electronic-structure theory without multipole expansions | Physical Review A | Einar Aurbakken Benedicte Sverdrup Ofstad Håkon Emil Kristiansen Øyvind Sigmundson Schøyen Simen Kvaal | 2024/1/22 |
A Brief Scientific Autobiography of Roland Lindh | Roland Lindh | 2024/4/25 | |
Docentföreläsning:“Reimagining Drug Discovery with Artificial Intelligence” | Roland Lindh | 2024/1/19 | |
The OpenMolcas Web: A Community-Driven Approach to Advancing Computational Chemistry | Journal of Chemical Theory and Computation | Giovanni Li Manni Ignacio Fdez. Galván Ali Alavi Flavia Aleotti Francesco Aquilante | 2023/5/22 |
Multiconfigurational quantum chemistry: The CASPT2 method | Stefano Battaglia Ignacio Fdez Galván Roland Lindh | 2023/1/1 | |
Smooth Things Come in Threes: A Diabatic Surrogate Model for Conical Intersection Optimization | Journal of Chemical Theory and Computation | Ignacio Fdez. Galván Roland Lindh | 2023/5/16 |
Regularized CASPT2: an intruder-state-free approach | APS March Meeting Abstracts | Roland Lindh Ignacio Fdez Galván Stefano Battaglia Lina Frasén | 2023 |
Characterizing Conical Intersections in DNA/RNA Nucleobases with Multiconfigurational Wave Functions of Varying Active Space Size | Journal of Chemical Theory and Computation | Juliana Cuéllar-Zuquin Ana Julieta Pepino Ignacio Fdez. Galván Ivan Rivalta Francesco Aquilante | 2023/10/26 |
Molecular structure optimizations with Gaussian process regression | Roland Lindh Ignacio Fdez Galván | 2023/1/1 | |
One-centre corrected two-electron integrals in inner projection-based integral evaluations | Molecular Physics | Danjo De Chavez Roland Lindh | 2023/6/24 |
The versatility of Cholesky decomposition of electron repulsion integrals | Thomas B Pedersen Ignacio Fdez Galván Roland Lindh | 2023/5/4 | |
Föreläsning:" Accelerating and improving quantum chemistry and dynamics with machine learning" | Roland Lindh | 2022/10/25 | |
Do 2-coordinate iodine (i) and silver (i) complexes form nucleophilic iodonium interactions (NIIs) in solution? | Chemical Communications | Scott Wilcox Daniel Sethio Jas S Ward Antonio Frontera Roland Lindh | 2022 |
Analytic gradients for compressed multistate pair-density functional theory | Molecular Physics | Jie J Bao Matthew R Hermes Thais R Scott Andrew M Sand Roland Lindh | 2022/10/18 |
Simulation Reveals the Environment-dependent Conformational Switching of Macrocycles | ChemRxiv | Daniel Sethio Vasanthanathan Poongavanam Ruisheng Xiong Mohit Tyagi Duc Duy Vo | 2022/6/14 |
Analytic first-order derivatives of (X) MS, XDW, and RMS variants of the CASPT2 and RASPT2 methods | Journal of Chemical Theory and Computation | Yoshio Nishimoto Stefano Battaglia Roland Lindh | 2022/6/14 |
Co-Authors
