Roland Lindh

Scopus Author ID ORCID

Publication Activity (10 Years)

Years Active: 2016-2024
Publications (10 Years): 39

Top Venues

Journal of chemical theory and computation

Journal of chemical information and modeling

The journal of physical chemistry. A

Nature chemistry

Uppsala University

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

Affiliation History

Uppsala University Jan 01 2019

Sweden

Prof. :: Chemistry - BMC

Publications

Kurtis D Borne, Joseph C Cooper, Michael N R Ashfold, Julien Bachmann, Surjendu Bhattacharyya, Rebecca Boll, Matteo Bonanomi, Michael Bosch, Carlo Callegari, Martin Centurion, Marcello Coreno, Basile F E Curchod, Miltcho B Danailov, Alexander Demidovich, Michele Di Fraia, Benjamin Erk, Davide Faccialà, Raimund Feifel, Ruaridh J G Forbes, Christopher S Hansen, David M P Holland, Rebecca A Ingle, Roland Lindh, Lingyu Ma, Henry G McGhee, Sri Bhavya Muvva, Joao Pedro Figueira Nunes, Asami Odate, Shashank Pathak, Oksana Plekan, Kevin Charles Prince, Primoz Rebernik, Arnaud Rouzée, Artem Rudenko, Alberto Simoncig, Richard J Squibb, Anbu Selvam Venkatachalam, Caterina Vozzi, Peter M Weber, Adam Kirrander, Daniel Rolles
Ultrafast electronic relaxation pathways of the molecular photoswitch quadricyclane. Nature chemistry 16 (4) (2024)
Kurtis D Borne, Joseph C Cooper, Michael N R Ashfold, Julien Bachmann, Surjendu Bhattacharyya, Rebecca Boll, Matteo Bonanomi, Michael Bosch, Carlo Callegari, Martin Centurion, Marcello Coreno, Basile F E Curchod, Miltcho B Danailov, Alexander Demidovich, Michele Di Fraia, Benjamin Erk, Davide Faccialà, Raimund Feifel, Ruaridh J G Forbes, Christopher S Hansen, David M P Holland, Rebecca A Ingle, Roland Lindh, Lingyu Ma, Henry G McGhee, Sri Bhavya Muvva, Joao Pedro Figueira Nunes, Asami Odate, Shashank Pathak, Oksana Plekan, Kevin Charles Prince, Primoz Rebernik, Arnaud Rouzée, Artem Rudenko, Alberto Simoncig, Richard J Squibb, Anbu Selvam Venkatachalam, Caterina Vozzi, Peter M Weber, Adam Kirrander, Daniel Rolles
Ultrafast electronic relaxation pathways of the molecular photoswitch quadricyclane. Nature chemistry 16 (4) (2024)
Kurtis D Borne, Joseph C Cooper, Michael N R Ashfold, Julien Bachmann, Surjendu Bhattacharyya, Rebecca Boll, Matteo Bonanomi, Michael Bosch, Carlo Callegari, Martin Centurion, Marcello Coreno, Basile F E Curchod, Miltcho B Danailov, Alexander Demidovich, Michele Di Fraia, Benjamin Erk, Davide Faccialà, Raimund Feifel, Ruaridh J G Forbes, Christopher S Hansen, David M P Holland, Rebecca A Ingle, Roland Lindh, Lingyu Ma, Henry G McGhee, Sri Bhavya Muvva, Joao Pedro Figueira Nunes, Asami Odate, Shashank Pathak, Oksana Plekan, Kevin Charles Prince, Primoz Rebernik, Arnaud Rouzée, Artem Rudenko, Alberto Simoncig, Richard J Squibb, Anbu Selvam Venkatachalam, Caterina Vozzi, Peter M Weber, Adam Kirrander, Daniel Rolles
Ultrafast electronic relaxation pathways of the molecular photoswitch quadricyclane. Nature chemistry (2024)
Daniel Sethio, Emily Azzopardi, Ignacio Fdez Galván, Roland Lindh
A Story of Three Levels of Sophistication in SCF/KS-DFT Orbital Optimization Procedures. The journal of physical chemistry. A (2024)
Paul B Calio, Matthew R Hermes, Jie J Bao, Ignacio Fdez Galván, Roland Lindh, Donald G Truhlar, Soumen Ghosh
Minimum-Energy Conical Intersections by Compressed Multistate Pair-Density Functional Theory. The journal of physical chemistry. A 128 (9) (2024)
Daniel Sethio, Emily Azzopardi, Ignacio Fdez Galván, Roland Lindh
A Story of Three Levels of Sophistication in SCF/KS-DFT Orbital Optimization Procedures. The journal of physical chemistry. A 128 (12) (2024)
Daniel Sethio, Emily Azzopardi, Ignacio Fdez Galván, Roland Lindh
A Story of Three Levels of Sophistication in SCF/KS-DFT Orbital Optimization Procedures. The journal of physical chemistry. A 128 (12) (2024)
Paul B Calio, Matthew R Hermes, Jie J Bao, Ignacio Fdez Galván, Roland Lindh, Donald G Truhlar, Soumen Ghosh
Minimum-Energy Conical Intersections by Compressed Multistate Pair-Density Functional Theory. The journal of physical chemistry. A (2024)
Daniel Sethio, Emily Azzopardi, Ignacio Fdez Galván, Roland Lindh
A Story of Three Levels of Sophistication in SCF/KS-DFT Orbital Optimization Procedures. The journal of physical chemistry. A 128 (12) (2024)
Kurtis D Borne, Joseph C Cooper, Michael N R Ashfold, Julien Bachmann, Surjendu Bhattacharyya, Rebecca Boll, Matteo Bonanomi, Michael Bosch, Carlo Callegari, Martin Centurion, Marcello Coreno, Basile F E Curchod, Miltcho B Danailov, Alexander Demidovich, Michele Di Fraia, Benjamin Erk, Davide Faccialà, Raimund Feifel, Ruaridh J G Forbes, Christopher S Hansen, David M P Holland, Rebecca A Ingle, Roland Lindh, Lingyu Ma, Henry G McGhee, Sri Bhavya Muvva, Joao Pedro Figueira Nunes, Asami Odate, Shashank Pathak, Oksana Plekan, Kevin Charles Prince, Primoz Rebernik, Arnaud Rouzée, Artem Rudenko, Alberto Simoncig, Richard J Squibb, Anbu Selvam Venkatachalam, Caterina Vozzi, Peter M Weber, Adam Kirrander, Daniel Rolles
Ultrafast electronic relaxation pathways of the molecular photoswitch quadricyclane. Nature chemistry 16 (4) (2024)
Juliana Cuéllar-Zuquin, Ana Julieta Pepino, Ignacio Fdez Galván, Ivan Rivalta, Francesco Aquilante, Marco Garavelli, Roland Lindh, Javier Segarra-Marti
Characterizing Conical Intersections in DNA/RNA Nucleobases with Multiconfigurational Wave Functions of Varying Active Space Size. Journal of chemical theory and computation (2023)
Ignacio Fdez Galván, Roland Lindh
Smooth Things Come in Threes: A Diabatic Surrogate Model for Conical Intersection Optimization. Journal of chemical theory and computation (2023)
Giovanni Li Manni, Ignacio Fdez Galván, Ali Alavi, Flavia Aleotti, Francesco Aquilante, Jochen Autschbach, Davide Avagliano, Alberto Baiardi, Jie J Bao, Stefano Battaglia, Letitia Birnoschi, Alejandro Blanco-González, Sergey I Bokarev, Ria Broer, Roberto Cacciari, Paul B Calio, Rebecca K Carlson, Rafael C Couto, Luis Cerdán, Liviu F Chibotaru, Nicholas F Chilton, Jonathan Richard Church, Irene Conti, Sonia Coriani, Juliana Cuéllar-Zuquin, Razan E Daoud, Nike Dattani, Piero Decleva, Coen de Graaf, Mickaël G Delcey, Luca De Vico, Werner Dobrautz, Sijia S Dong, Rulin Feng, Nicolas Ferré, Michael Filatov Gulak, Soumen Ghosh, Marco Garavelli, Leticia González, Yafu Guan, Meiyuan Guo, Matthew R Hennefarth, Matthew R Hermes, Chad E Hoyer, Miquel Huix-Rotllant, Vishal Kumar Jaiswal, Andy Kaiser, Danil S Kaliakin, Marjan Khamesian, Daniel S King, Vladislav Kochetov, Marek Krośnicki, Arpit Arun Kumaar, Ernst Dennis Larsson, Susi Lehtola, Marie-Bernadette Lepetit, Hans Lischka, Pablo López Ríos, Marcus Lundberg, Dongxia Ma, Sebastian Mai, Philipp Marquetand, Isabella C D Merritt, Francesco Montorsi, Maximilian Mörchen, Artur Nenov, Vu Ha Anh Nguyen, Yoshio Nishimoto, Meagan S Oakley, Massimo Olivucci, Markus Oppel, Daniele Padula, Riddhish Pandharkar, Quan Manh Phung, Felix Plasser, Gerardo Raggi, Elisa Rebolini, Markus Reiher, Ivan Rivalta, Daniel Roca-Sanjuán, Thies Romig, Arta Anushirwan Safari, Aitor Sánchez-Mansilla, Andrew M Sand, Igor Schapiro, Thais R Scott, Javier Segarra-Marti, Francesco Segatta, Dumitru-Claudiu Sergentu, Prachi Sharma, Ron Shepard, Yinan Shu, Jakob K Staab, Tjerk P Straatsma, Lasse Kragh Sørensen, Bruno Nunes Cabral Tenorio, Donald G Truhlar, Liviu Ungur, Morgane Vacher, Valera Veryazov, Torben Arne Voß, Oskar Weser, Dihua Wu, Xuchun Yang, David R Yarkony, Chen Zhou, J Patrick Zobel, Roland Lindh
The OpenMolcas Web : A Community-Driven Approach to Advancing Computational Chemistry. Journal of chemical theory and computation (2023)
Stefano Battaglia, Lina Fransén, Ignacio Fdez Galván, Roland Lindh
Regularized CASPT2: an Intruder-State-Free Approach. Journal of chemical theory and computation 18 (8) (2022)
Yoshio Nishimoto, Stefano Battaglia, Roland Lindh
Analytic First-Order Derivatives of (X)MS, XDW, and RMS Variants of the CASPT2 and RASPT2 Methods. Journal of chemical theory and computation 18 (7) (2022)
Daniel Sethio, Vasanthanathan Poongavanam, Ruisheng Xiong, Mohit Tyagi, Duc Duy Vo, Roland Lindh, Jan Kihlberg
Simulation Reveals the Chameleonic Behavior of Macrocycles. Journal of chemical information and modeling 63 (1) (2022)
Daniel Sethio, Vasanthanathan Poongavanam, Ruisheng Xiong, Mohit Tyagi, Duc Duy Vo, Roland Lindh, Jan Kihlberg
Simulation Reveals the Chameleonic Behavior of Macrocycles. Journal of chemical information and modeling 63 (1) (2022)
Daniel Sethio, Vasanthanathan Poongavanam, Ruisheng Xiong, Mohit Tyagi, Duc Duy Vo, Roland Lindh, Jan Kihlberg
Simulation Reveals the Chameleonic Behavior of Macrocycles. Journal of chemical information and modeling 63 (1) (2022)
Daniel Sethio, Vasanthanathan Poongavanam, Ruisheng Xiong, Mohit Tyagi, Duc Duy Vo, Roland Lindh, Jan Kihlberg
Simulation Reveals the Chameleonic Behavior of Macrocycles. Journal of chemical information and modeling (2022)
Daniel Sethio, Vasanthanathan Poongavanam, Ruisheng Xiong, Mohit Tyagi, Duc Duy Vo, Roland Lindh, Jan Kihlberg
Simulation Reveals the Chameleonic Behavior of Macrocycles. Journal of chemical information and modeling 63 (1) (2022)
Daniel Sethio, Vasanthanathan Poongavanam, Ruisheng Xiong, Mohit Tyagi, Duc Duy Vo, Roland Lindh, Jan Kihlberg
Simulation Reveals the Chameleonic Behavior of Macrocycles. Journal of chemical information and modeling 63 (1) (2022)
Scott Wilcox, Daniel Sethio, Jas S Ward, Antonio Frontera, Roland Lindh, Kari T Rissanen, Máté Erdélyi
Do 2-coordinate iodine(I) and silver(I) complexes form nucleophilic iodonium interactions (NIIs) in solution? Chemical communications (Cambridge, England) 58 (32) (2022)
Stefano Battaglia, Roland Lindh
Extended Dynamically Weighted CASPT2: The Best of Two Worlds. Journal of chemical theory and computation 16 (3) (2020)
Ignacio Fdez Galván, Gerardo Raggi, Roland Lindh
Restricted-Variance Constrained, Reaction Path, and Transition State Molecular Optimizations Using Gradient-Enhanced Kriging. Journal of chemical theory and computation 17 (1) (2020)
Ann Christin Reiersølmoen, Stefano Battaglia, Sigurd Øien-Ødegaard, Arvind Kumar Gupta, Anne Fiksdahl, Roland Lindh, Máté Erdélyi
Symmetry of three-center, four-electron bonds. Chemical science 11 (30) (2020)
WooSeok Jeong, Samuel J Stoneburner, Daniel King, Ruye Li, Andrew Walker, Roland Lindh, Soumen Ghosh
Automation of Active Space Selection for Multireference Methods via Machine Learning on Chemical Bond Dissociation. Journal of chemical theory and computation 16 (4) (2020)
Ann Christin Reiersølmoen, Stefano Battaglia, Andreas Orthaber, Roland Lindh, Máté Erdélyi, Anne Fiksdahl
P,N-Chelated Gold(III) Complexes: Structure and Reactivity. Inorganic chemistry 60 (5) (2020)
Tomáš Slanina, Rabia Ayub, Josene Maria Toldo, Johan Sundell, Wangchuk Rabten, Marco Nicaso, Igor V Alabugin, Ignacio Fdez Galván, Arvind Kumar Gupta, Roland Lindh, Andreas Orthaber, Richard J Lewis, Gunnar Grönberg, Joakim Bergman, Henrik Ottosson
Impact of Excited-State Antiaromaticity Relief in a Fundamental Benzene Photoreaction Leading to Substituted Bicyclo[3.1.0]hexenes. Journal of the American Chemical Society 142 (25) (2020)
Daniel Sethio, Gerardo Raggi, Roland Lindh, Máté Erdélyi
Halogen Bond of Halonium Ions: Benchmarking DFT Methods for the Description of NMR Chemical Shifts. Journal of chemical theory and computation 16 (12) (2020)
Gerardo Raggi, Ignacio Fdez Galván, Christian L Ritterhoff, Morgane Vacher, Roland Lindh
Restricted-Variance Molecular Geometry Optimization Based on Gradient-Enhanced Kriging. Journal of chemical theory and computation 16 (6) (2020)
Ignacio Fdez Galván, Morgane Vacher, Ali Alavi, Celestino Angeli, Francesco Aquilante, Jochen Autschbach, Jie J Bao, Sergey I Bokarev, Nikolay A Bogdanov, Rebecca K Carlson, Liviu F Chibotaru, Joel Creutzberg, Nike Dattani, Mickaël G Delcey, Sijia S Dong, Andreas Dreuw, Leon Freitag, Luis Manuel Frutos, Soumen Ghosh, Frédéric Gendron, Angelo Giussani, Leticia González, Gilbert Grell, Meiyuan Guo, Chad E Hoyer, Marcus Johansson, Sebastian Keller, Stefan Knecht, Goran Kovačević, Erik Källman, Giovanni Li Manni, Marcus Lundberg, Yingjin Ma, Sebastian Mai, João Pedro Malhado, Per Åke Malmqvist, Philipp Marquetand, Stefanie A Mewes, Jesper Norell, Massimo Olivucci, Markus Oppel, Quan Manh Phung, Kristine Pierloot, Felix Plasser, Markus Reiher, Andrew M Sand, Igor Schapiro, Prachi Sharma, Christopher J Stein, Lasse Kragh Sørensen, Donald G Truhlar, Mihkel Ugandi, Liviu Ungur, Alessio Valentini, Steven Vancoillie, Valera Veryazov, Oskar Weser, Tomasz Adam Wesołowski, Per-Olof Widmark, Sebastian Wouters, Alexander Zech, J Patrick Zobel, Roland Lindh
OpenMolcas: From Source Code to Insight. Journal of chemical theory and computation 15 (11) (2019)
Florian Häse, Ignacio Fdez Galván, Alán Aspuru-Guzik, Roland Lindh, Morgane Vacher
How machine learning can assist the interpretation of ab initio molecular dynamics simulations and conceptual understanding of chemistry. Chemical science 10 (8) (2018)
Romain Berraud-Pache, Roland Lindh, Isabelle Navizet
QM/MM Study of the Formation of the Dioxetanone Ring in Fireflies through a Superoxide Ion. The journal of physical chemistry. B 122 (20) (2018)
Meiyuan Guo, Erik Källman, Rahul V Pinjari, Rafael C Couto, Lasse Kragh Sørensen, Roland Lindh, Kristine Pierloot, Marcus Lundberg
Fingerprinting Electronic Structure of Heme Iron by Ab Initio Modeling of Metal L-Edge X-ray Absorption Spectra. Journal of chemical theory and computation 15 (1) (2018)
Morgane Vacher, Ignacio Fdez Galván, Bo-Wen Ding, Stefan Schramm, Romain Berraud-Pache, Panče Naumov, Nicolas Ferré, Ya-Jun Liu, Isabelle Navizet, Daniel Roca-Sanjuán, Wilhelm J Baader, Roland Lindh
Chemi- and Bioluminescence of Cyclic Peroxides. Chemical reviews 118 (15) (2018)
Morgane Vacher, Anders Brakestad, Hans O Karlsson, Ignacio Fdez Galván, Roland Lindh
Dynamical Insights into the Decomposition of 1,2-Dioxetane. Journal of chemical theory and computation 13 (6) (2017)
Morgane Vacher, Pooria Farahani, Alessio Valentini, Luis Manuel Frutos, Hans O Karlsson, Ignacio Fdez Galván, Roland Lindh
How Do Methyl Groups Enhance the Triplet Chemiexcitation Yield of Dioxetane? The journal of physical chemistry letters 8 (16) (2017)
Andrew M Sand, Chad E Hoyer, Kamal Sharkas, Katherine M Kidder, Roland Lindh, Donald G Truhlar, Soumen Ghosh
Analytic Gradients for Complete Active Space Pair-Density Functional Theory. Journal of chemical theory and computation 14 (1) (2017)
Kjell Jorner, Ferran Feixas, Rabia Ayub, Roland Lindh, Miquel Solá, Henrik Ottosson
Analysis of a Compound Class with Triplet States Stabilized by Potentially Baird Aromatic [10]Annulenyl Dicationic Rings. Chemistry (Weinheim an der Bergstrasse, Germany) 22 (8) (2016)

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Publication Activity (10 Years)

Top Topics

Top Venues

Roland Lindh