Jekyll2026-10-03T21:57:58+00:00https://molquantdynlab-haverfordcollege.github.io/feed.xmlMolQuantDyn@HaverfordThe Molecular Quantum Dynamics Lab (MolQuantDyn Lab) at Haverford College, Department of Physics and Astronomy focuses on developing and using quantum dynamics methods to study processes relevant to atmospheric chemistry, astrophysics, combustion and catalysis.Conrad, Yijin and Heshu presented their Summer work at the KINSC Fall Symposium.2026-09-26T00:00:00+00:002026-09-26T00:00:00+00:00https://molquantdynlab-haverfordcollege.github.io/blog/2026/09/26/NewsConrad, 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. Conrad worked on an MCTDH approach for HD+HD and HD+H reactive scattering, developing a method to simulate different types of reactive scattering with MCTDH. Heshu and Yijin built a code to simulate the collision of two molecules.

Conrad presenting his MCTDH poster at the KINSC Fall Symposium

Heshu and Yijin presenting their diatom-diatom scattering poster at the KINSC Fall Symposium

]]>Collaborative paper on (CH3CO+)-He collisions has been published in CPL.2026-09-23T00:00:00+00:002026-09-23T00:00:00+00:00https://molquantdynlab-haverfordcollege.github.io/blog/2026/09/23/NewsA 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.

]]>Collaborative paper on ketene-He collisions has been published in JCP.2026-08-07T00:00:00+00:002026-08-07T00:00:00+00:00https://molquantdynlab-haverfordcollege.github.io/blog/2026/08/07/NewsA 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.

]]>Steve presented a poster at High Dimensional Quantum Dynamics 2026 (HDQD 2026) in Salamanca, Spain.2026-07-11T00:00:00+00:002026-07-11T00:00:00+00:00https://molquantdynlab-haverfordcollege.github.io/blog/2026/07/11/NewsSteve 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.

]]>Steve visited Fabien Gatti at the Institut Carnot de Bourgogne.2026-07-01T00:00:00+00:002026-07-01T00:00:00+00:00https://molquantdynlab-haverfordcollege.github.io/blog/2026/07/01/NewsSteve 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).

]]>Zaid presented his research at the International Symposium on Molecular Spectroscopy 2026 (ISMS 2026).2026-06-23T00:00:00+00:002026-06-23T00:00:00+00:00https://molquantdynlab-haverfordcollege.github.io/blog/2026/06/23/NewsZaid presented some of his recent research on atom-asymmetric top inelastic collisions and spectroscopy at the International Symposium on Molecular Spectroscopy 2026 (ISMS 2026).

]]>Collaborative paper on PH3 collision with H2 has been published in PCCP.2025-08-04T00:00:00+00:002025-08-04T00:00:00+00:00https://molquantdynlab-haverfordcollege.github.io/blog/2025/08/04/NewsA 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.

]]>Hervé’s paper on PO+-H2 has been published in JPCA.2025-07-02T00:00:00+00:002025-07-02T00:00:00+00:00https://molquantdynlab-haverfordcollege.github.io/blog/2025/07/02/NewsOur 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!

]]>The members of the QDRG gave research talks on their PhD projects at the EAIFR PhD Seminar Series.2024-05-07T00:00:00+00:002024-05-07T00:00:00+00:00https://molquantdynlab-haverfordcollege.github.io/blog/2024/05/07/NewsSosthene, 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”.

]]>Hervé’s paper on H2O-HCN has been published in PCCP.2023-11-02T00:00:00+00:002023-11-02T00:00:00+00:00https://molquantdynlab-haverfordcollege.github.io/blog/2023/11/02/NewsOur 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!

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