Blog
-
September 26, 2026
Conrad, Yijin and Heshu presented their Summer work at the KINSC Fall Symposium.
Conrad, Yijin and Heshu presented their Summer work at the KINSC Fall Symposium.
Read more »
-
September 23, 2026
Collaborative paper on (CH3CO+)-He collisions has been published in CPL.
A collaborative work led by Abdelhak Jrad (University of Tunis El Manar, Tunisia) on the inelastic scattering of acetyl cation (CH3CO+) induced by collisions with He atoms, including a non-LTE analysis, has been published in Chemical Physics Letters.
Read more »
-
August 07, 2026
Collaborative paper on ketene-He collisions has been published in JCP.
A collaborative work led by Abdelhak Jrad and Manel Naouai (University of Tunis El Manar, Tunisia) on the inelastic scattering of ketene (H2CCO) induced by collisions with He atoms, including a non-LTE analysis, has been published in the Journal of Chemical Physics.
Read more »
-
July 11, 2026
Steve presented a poster at High Dimensional Quantum Dynamics 2026 (HDQD 2026) in Salamanca, Spain.
Steve attended High Dimensional Quantum Dynamics 2026 (HDQD 2026) in Salamanca, Spain, from July 7th to 11th, and presented a poster entitled “MCTDH approach for inelastic (and reactive) scattering: some results, challenges and perspectives.” HDQD is the main thematic conference for the MCTDH community, where recent developments and applications of high-dimensional quantum dynamics are discussed.
Read more »
-
July 01, 2026
Steve visited Fabien Gatti at the Institut Carnot de Bourgogne.
Steve visited Fabien Gatti at the Institut Carnot de Bourgogne, Université Bourgogne-Europe, from July 1st to 3rd. The visit included several fruitful discussions on the MCTDH method and its applications with Fabien and Shanyu Han (Nanjing University).
Read more »
-
June 23, 2026
Zaid presented his research at the International Symposium on Molecular Spectroscopy 2026 (ISMS 2026).
Zaid presented some of his recent research on atom-asymmetric top inelastic collisions and spectroscopy at the International Symposium on Molecular Spectroscopy 2026 (ISMS 2026).
Read more »
-
August 04, 2025
Collaborative paper on PH3 collision with H2 has been published in PCCP.
A collaborative work involving groups in Italy and Tunisia led by Ayda Badri on the state-to-state collisional rates in the scattering of PH3 with H2 using the close-coupling method has been published in Physical Chemistry Chemical Physics.
Read more »
-
July 02, 2025
Hervé's paper on PO+-H2 has been published in JPCA.
Our work in collaboration with Francois Lique group on the calculations of the low lying rovibrational states of PO+-H2 using the MCTDH and the close-coupling method has been published in the Journal of Physical Chemistry A. Congratulations to Hervé on the second paper of his PhD thesis!
Read more »
-
May 07, 2024
The members of the QDRG gave research talks on their PhD projects at the EAIFR PhD Seminar Series.
Sosthene, Hervé and Wala presented their research at the EAIFR PhD Seminar Series. Sosthene’s work is entitled: “Development of a Potential Energy Surface for H2O on TiO2 Surface”. Herve’s work is entitled: “Rovibrational States Calculations of the Rigid Rotors H2O-HCN and H2O-H2O: Representation of the Potential Energy Surface and Some Results”. Wala’s work is entitled: “The magnetism of the hematite surface in O₂ adsorption”.
Read more »
-
November 02, 2023
Hervé's paper on H2O-HCN has been published in PCCP.
Our work in collaboration with Richard Dawes group, Yohann Scribano, Fabien Gatti and Marie-Lise Dubernet on the calculations of the low lying rovibrational states of H2O-HCN using the MCTDH method has been published in Physical Chemistry Chemical Physics. Congratulations to Hervé on his first paper and the first paper of his PhD thesis!
Read more »
-
September 14, 2023
Sosthene visited the group of Prof Fabien Gatti in Orsay, France.
Sosthene spent a 3 months internship at the Institut de Sciences Moleculaires d’Orsay (ISMO) of the Université Paris-Saclay in the team of Prof Fabien Gatti. At ISMO, Sosthene worked on improving his understanding of the MCTDH and applied it to various molecule-surface processes.
Read more »
-
July 13, 2023
Hervé attended the MCTDH Summer School 2023 taking place at the University of Heidelberg, Germany.
Hervé, participated to the MCTDH Summer School 2023 that took place from the 13th to the 17th of July 2023 in Heidelberg, Germany. At the school, the MCTDH method with new developments and applications were discussed.
Read more »
-
July 03, 2023
Hervé visited the group of Prof Fabien Gatti in Orsay, France.
Hervé spent a one month internship at the Institut de Sciences Moleculaires d’Orsay (ISMO) of the Université Paris-Saclay in the team of Prof Fabien Gatti. At ISMO, Hervé worked on improving his understanding of the MCTDH and applied it to various projects.
Read more »
-
June 29, 2023
New paper published in J. Phys. Chem. A
A continuation of our work in collaboration with Richard Dawes group and David Osborn on the calculations of the low lying potential energy and dipole surfaces, bound states and absoption spectrum of NO2 has been published in Journal of Physical Chemistry A. The work again made the front cover of the journal.
Read more »
-
June 12, 2023
The members of the QDRG participate to ASESMA 2023 taking place at EAIFR in Kigali, Rwanda.
Sosthene, Hervé, Wala and Steve participated to the 7th African School on Electronic Structure Methods and Applications (ASESMA 2023) workshop taking place in Kigali, Rwanda (EAIFR) and online from the 12th to the 23th of June 2023.
Read more »
-
September 06, 2022
The members of the QDRG participate to the ASQSIS workshop taking place at EAIFR and online.
Sosthene and Wala participated to the week long African School on Quantum Simulation and Quantum Information Science (ASQSIS) workshop taking place in Kigali, Rwanda (EAIFR) and online from the 5th to the 9th of September 2022.
Read more »
-
September 05, 2022
The members of the QDRG participate to the MLCQCDyn workshop taking place in Paris, France.
Steve, Ayda and Hervé participated to the week long workshop on Machine Learning and Quantum Computing for Quantum Molecular Dynamics taking place in Paris, France and online from the 5th to the 9th of September 2022. Steve presented his work with collaborators from France and Germany on the infrared spectroscopy of the water-dimer. Hervé presented his recent results on the spectroscopy of the water-dimer using the MCTDH method.
Read more »
-
August 22, 2022
Steve presents at the Psi-k 2022 conference.
Steve presented our work with collaborators from France and Germany on the infrared spectroscopy of the water-dimer at the Psi-k 2022 conference in Lausanne, Switzerland.
Read more »
-
August 09, 2022
Steve visits the THEOS group of Prof Nicola Marzari at EPFL.
Steve visits the THEOS group of Prof Nicola Marzari at EPFL. The visit is part of the collaboration on the EXAF project on photocatalytic water splitting.
Read more »
-
June 10, 2022
Steve gives a presentation at Rutgers-Newark Physics.
Steve presented our work with collaborators from France and Germany on the infrared spectroscopy of the water-dimer at the Rutgers-Newark Summer Theory Workshop on Molecules and Materials: design and Dynamics.
Read more »
-
June 03, 2022
Steve presents at the ES22 meeting.
Steve presented our work with collaborators from France and Germany on the infrared spectroscopy of the water-dimer at the 2022 Workshop on Recent Developments in Electronic Structure (ES22). The meeting, hosted by Columbia University, was an opportunity to celebrate Prof Richard Martin 80th birthday.
Read more »
-
May 27, 2022
Steve presents at the USAFRI workshop.
Steve presented our work with collaborators from France and Germany on the infrared spectroscopy of the water-dimer at the online US-Africa Initiative on Electronic Structure (USAFRI) workshop.
Read more »
-
May 16, 2022
Members of the group attend the MLESMD.
Ayda, Hervé, Sosthene and Wala attended the week long Machine Learning in Electronic Structure and Molecular Dynamics workshop organized by ICTP-EAIFR and ICTP and hosted at the Institute. It is the first in-person meeting at ICTP-EAIFR since the start of the COVID-19 pandemic.
Read more »
-
May 09, 2022
Members of the group participate to an ICTP ML woorkhop.
Ayda and Sosthene participated to the week long online Young Researchers’ Workshop on Machine Learning for Materials organized by ICTP.
Read more »
-
March 10, 2022
Wala Elsayed joins the team.
Wala got her Master’s in Chemistry from the University of Khartoum, Sudan. Her PhD is supported by the Organisation for Women in Science for the Developing World (OWSD).
Read more »
-
March 01, 2022
Ange Benise Niyikiza joins the team.
Ange Benise got her BSc in Physics from the University of Rwanda, Rwanda. Her Master’s project, in collaboration with Prof Fabien Gatti of University Paris-Saclay, will be on quantum control of molecular processes for quantum technologies applications in chemistry.
Read more »
-
November 01, 2021
Sosthene Irambona and Ayda Badri join the team.
Sosthene got his Master’s in Mathematical Science from AIMS South Africa and is an Assistant Lecturer at Rwanda Polytechnic, Musanze. Ayda got her PhD in Molecular Physics in the LSAMA lab of University of Tunis El Manar. The PhD of Sosthene and the Postdoc tenure of Ayda are supported by the EXAF-JFD grant.
Read more »
-
June 11, 2021
New paper published in J. Phys. Chem. A
Our work in collaboration with Richard Dawes group and David Osborn on the calculations of the low lying potential energy and dipole surfaces, bound states and absoption spectrum of NO2 has been published in Journal of Physical Chemistry A. The work made the front cover of the journal.
Read more »
-
May 25, 2021
New paper published in Phys. Rev. A.
Our work with Richard Dawes in collaboration with Roland Wester group on the comparison of computed and experimental reaction rates for the OH-+He inelastic scattering at low tempaerature has been published in Physical Review A. Congratulations to Eric of Roland Wester group on his paper.
Read more »
-
January 15, 2021
The group receives a grant from the EXAF-JFD program.
Our project on photocatalysis in partnership with Nicola Marzari at EPFL was selected for funding by the Excellence in Africa - Junior Faculty Development (ExAf-JFD) program. Stay tuned for PhD and Postdoc openings.
Read more »
-
August 25, 2020
New paper published in J. Chem. Phys.
Our work in collaboration with Yohann Scribano group, Fabien Gatti and Hans-Dieter Meyer on the calculations of reaction rates for the HD+H→D+H2 using the MCTDH approach has been published in J. Chem. Phys. Congratulations to Duncan on his paper.
Read more »
-
February 01, 2020
Herve Tajouo Tela joins the team.
Herve got his Master’s in Physics from the University of Yaounde 1, Cameroon. He will work on the spectroscopy and dynamics of small water clusters. His PhD is supported by the ICTP Office of External Activities (ICTP-OEA).
Read more »
-
January 03, 2020
New paper published in Phys. Chem. Chem. Phys.
Our work in collaboration with Richard Dawes group and Francois Lique group on the calculations of state-to-state cross sections and reaction rates of the O3+Ar process in order to understand the Ozone isotopic anomaly has been published in Physical Chemistry Chemical Physics Congratulations to Sangeeta of Richard Dawes group on her paper.
Read more »
-
October 01, 2019
New paper published in J. Chem. Phys.
Our work in collaboration with Richard Dawes, Fabien Gatti and Yohann Scribano on the calculations of state-to-state inelastic cross sections in five atoms systems (H2O+H2) using the MCTDH method is published in J. Chem. Phys.
Read more »
-
June 12, 2019
Work presented at ISMS2019.
Sangeeta Sur from Richard Dawes group presented our collaborative work on the spectrocopy and scattering of the O3+Ar system at the International Symposium on Molecular Spectroscopy 2019.
Read more »
-
May 01, 2019
Steve joins ICTP-EAIFR and sets up the QDRG group.
Dr Steve Ndengué joined the newly created ICTP-East African Institute for Fundamental Research in Kigali, Rwanda.
Read more »
-
March 12, 2019
New paper published in Phys. Chem. Chem. Phys.
Our work in collaboration with Richard Dawes group on the development of a new potential energy surface for the O3-Ar system has been published in Physical Chemistry Chemical Physics. Congratulations to Sangeeta Sur of Richard Dawes’ Group on her paper.
Read more »
