Morgane Vacher (M Vacher)

Publication Activity (10 Years)

Years Active: 2017-2024
Publications (10 Years): 30

Top Topics

Electron Transfer

Diffusion Weighted

Molecular Dynamics

Perovskite Solar Cells

Top Venues

The journal of physical chemistry letters

Journal of chemical theory and computation

The journal of physical chemistry. A

Physical chemistry chemical physics : PCCP

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

Publications

Thierry Tran, Anthony Ferté, Morgane Vacher
Simulating Attochemistry: Which Dynamics Method to Use? The journal of physical chemistry letters 15 (13) (2024)
Lina Fransén, Thierry Tran, Saikat Nandi, Morgane Vacher
Dissociation and Isomerization Following Ionization of Ethylene: Insights from Nonadiabatic Dynamics Simulations. The journal of physical chemistry. A 128 (8) (2024)
Thierry Tran, Anthony Ferté, Morgane Vacher
Simulating Attochemistry: Which Dynamics Method to Use? The journal of physical chemistry letters 15 (13) (2024)
Thierry Tran, Anthony Ferté, Morgane Vacher
Simulating Attochemistry: Which Dynamics Method to Use? The journal of physical chemistry letters (2024)
Lina Fransén, Thierry Tran, Saikat Nandi, Morgane Vacher
Dissociation and Isomerization Following Ionization of Ethylene: Insights from Nonadiabatic Dynamics Simulations. The journal of physical chemistry. A (2024)
Thomas V Papineau, Denis Jacquemin, Morgane Vacher
Which Electronic Structure Method to Choose in Trajectory Surface Hopping Dynamics Simulations? Azomethane as a Case Study. The journal of physical chemistry letters (2024)
Thierry Tran, Anthony Ferté, Morgane Vacher
Simulating Attochemistry: Which Dynamics Method to Use? The journal of physical chemistry letters 15 (13) (2024)
Thomas V Papineau, Denis Jacquemin, Morgane Vacher
Which Electronic Structure Method to Choose in Trajectory Surface Hopping Dynamics Simulations? Azomethane as a Case Study. The journal of physical chemistry letters 15 (2) (2024)
Lina Fransén, Thierry Tran, Saikat Nandi, Morgane Vacher
Dissociation and Isomerization Following Ionization of Ethylene: Insights from Nonadiabatic Dynamics Simulations. The journal of physical chemistry. A 128 (8) (2024)
Lina Fransén, Thierry Tran, Saikat Nandi, Morgane Vacher
Dissociation and Isomerization Following Ionization of Ethylene: Insights from Nonadiabatic Dynamics Simulations. The journal of physical chemistry. A 128 (8) (2024)
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)
Johanna Rogvall, Roshan Singh, Morgane Vacher, Marcus Lundberg
Sensitivity of Kβ mainline X-ray emission to structural dynamics in iron photosensitizer. Physical chemistry chemical physics : PCCP (2023)
Isabella C D Merritt, Denis Jacquemin, Morgane Vacher
Nonadiabatic Coupling in Trajectory Surface Hopping: How Approximations Impact Excited-State Reaction Dynamics. Journal of chemical theory and computation (2023)
Anthony Ferté, Axel Houssin, Nina Albouy, Isabella C D Merritt, Morgane Vacher
ESIPT in the pyrrol pyridine molecule: mechanism, timescale and yield revealed using dynamics simulations. Physical chemistry chemical physics : PCCP (2023)
Xiaorui Zhao, Isabella C D Merritt, Ruiqing Lei, Yinan Shu, Denis Jacquemin, Linyao Zhang, Xuefei Xu, Morgane Vacher, Donald G Truhlar
Nonadiabatic Coupling in Trajectory Surface Hopping: Accurate Time Derivative Couplings by the Curvature-Driven Approximation. Journal of chemical theory and computation (2023)
Ignacio Fdez Galván, Anders Brakestad, Morgane Vacher
Role of conical intersection seam topography in the chemiexcitation of 1,2-dioxetanes. Physical chemistry chemical physics : PCCP 24 (3) (2022)
Morgane Vacher, Alexie Boyer, Vincent Loriot, Franck Lépine, Saikat Nandi
Few-Femtosecond Isotope Effect in Polyatomic Molecules Ionized by Extreme Ultraviolet Attosecond Pulse Trains. The journal of physical chemistry. A 126 (34) (2022)
Isabella C D Merritt, Denis Jacquemin, Morgane Vacher
cis → trans photoisomerisation of azobenzene: a fresh theoretical look. Physical chemistry chemical physics : PCCP 23 (35) (2021)
Isabella C D Merritt, Denis Jacquemin, Morgane Vacher
Attochemistry: Is Controlling Electrons the Future of Photochemistry? The journal of physical chemistry letters 12 (34) (2021)
Jesper Norell, Michael Odelius, Morgane Vacher
Ultrafast dynamics of photo-excited 2-thiopyridone: Theoretical insights into triplet state population and proton transfer pathways. Structural dynamics (Melville, N.Y.) 7 (2) (2020)
Morgane Vacher, Kristjan Kunnus, Mickaël G Delcey, Kelly J Gaffney, Marcus Lundberg
Origin of core-to-core x-ray emission spectroscopy sensitivity to structural dynamics. Structural dynamics (Melville, N.Y.) 7 (4) (2020)
Kristjan Kunnus, Morgane Vacher, Tobias C B Harlang, Kasper S Kjær, Kristoffer Haldrup, Elisa Biasin, Tim B van Driel, Mátyás Pápai, Pavel Chàbera, Yizhu Liu, Hideyuki Tatsuno, Cornelia Timm, Erik Källman, Mickaël Delcey, Robert W Hartsock, Marco E Reinhard, Sergey Koroidov, Mads G Laursen, Frederik B Hansen, Peter Vester, Morten Christensen, Lise Sandberg, Zoltán Németh, Dorottya Sárosiné Szemes, Éva G Bajnóczi, Roberto Alonso Mori, James M Glownia, Silke Nelson, Marcin Sikorski, Dimosthenis Sokaras, Henrik Till Lemke, Sophie E Canton, Klaus Braagaard Mo Ller, Martin Meedom Nielsen, György Vankó, Kenneth Wärnmark, Villy Sundström, Petter Persson, Marcus Lundberg, Jens Uhlig, Kelly J Gaffney
Vibrational wavepacket dynamics in Fe carbene photosensitizer determined with femtosecond X-ray emission and scattering. Nature communications 11 (1) (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)
Mickaël G Delcey, Lasse Kragh Sørensen, Morgane Vacher, Rafael C Couto, Marcus Lundberg
Efficient calculations of a large number of highly excited states for multiconfigurational wavefunctions. Journal of computational chemistry 40 (19) (2019)
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)
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)
Alvaro Sanchez-Gonzalez, P Micaelli, C Olivier, T R Barillot, M Ilchen, A A Lutman, A Marinelli, Timothy J Maxwell, A Achner, M Agåker, N Berrah, C Bostedt, J D Bozek, J Buck, P H Bucksbaum, S Carron Montero, B Cooper, J P Cryan, M Dong, R Feifel, L J Frasinski, H Fukuzawa, A Galler, G Hartmann, N Hartmann, W Helml, A S Johnson, André Knie, A O Lindahl, J Liu, K Motomura, M Mucke, C O'Grady, J-E Rubensson, E R Simpson, R J Squibb, C Såthe, K Ueda, Morgane Vacher, D J Walke, V Zhaunerchyk, R N Coffee, J P Marangos
Accurate prediction of X-ray pulse properties from a free-electron laser using machine learning. Nature communications 8 (2017)