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We solve the orientation recovery of a tumbling protein in the gas phase from single-event measurements of the spatial positions of its ions after an X-ray laser induced explosion. We simulate diffracted X-ray signal and ion dynamics under…

Chemical Physics · Physics 2026-03-26 Tomas André , Alfredo Bellisario , Nicusor Timneanu , Carl Caleman

We report on experimental results obtained from collisions of slow highly charged Ar9+ ions with a carbon monoxide dimer (CO)2 target. A COLTRIMS setup and a Coulomb explosion imaging approach are used to reconstruct the structure of the CO…

Atomic and Molecular Clusters · Physics 2021-04-30 A. Méry , V. Kumar , X. Fléchard , B. Gervais , S. Guillous , M. Lalande , J. Rangama , W. Wolff , A. Cassimi

Inducing and controlling the ultrafast molecular rotational dynamics using shaped laser fields is essential in numerous applications. Several approaches exist that allow following the coherent molecular motion in real-time, including…

We present efficient and reliable molecular dynamics simulations of the photodissociation of dichloromethane followed by Coulomb explosion. These simulations are performed by calculating trajectories on accurate potential energy surfaces of…

Chemical Physics · Physics 2025-07-22 Yijue Ding

We show examples of neutron capture, photo dissociation and Coulomb dissociation processes, relevant for studying nuclear structure properties of some light nuclei. In the case of the neutron capture, we show how interference effects among…

Nuclear Theory · Physics 2009-10-31 A. Mengoni , T. Otsuka

Single Particle Imaging techniques at X-ray lasers have made significant strides, yet the challenge of determining the orientation of freely rotating molecules during delivery remains. In this study, we propose a novel method to partially…

Chemical Physics · Physics 2025-10-27 Tomas André , Emiliano De Santis , Nicusor Timneanu , Carl Caleman

We have deduced the structure of the \ce{bromobenzene}--\ce{I2} heterodimer and the \ce{(bromobenzene)2} homodimer inside helium droplets using a combination of laser-induced alignment, Coulomb explosion imaging, and three-dimensional ion…

Coherent diffraction imaging (CDI) allows the retrieval of the structure of an isolated object, such as a macromolecule, from its diffraction pattern. CDI requires the fulfilment of two conditions: the imaging radiation must be coherent and…

Optics · Physics 2018-11-16 Tatiana Latychevskaia , Hans-Werner Fink

When a chemical bond is broken, the molecular structure undergoes a transformation. An ideal experiment should probe the change in the electronic and nuclear structure simultaneously. Here, we present a method for the simultaneous…

Atomic Physics · Physics 2024-10-11 Saurabh Mhatre , Zack Dube , André Staudte , Stefanie Gräfe , Matthias Kübel

Studies of strong field ionization have historically relied on the strong field approximation, which neglects all spatial dependence in the forces experienced by the electron after ionization. More recently, the small spatial inhomogeneity…

Fixing molecules in space is a crucial step for the imaging of molecular structure and dynamics. Here, we demonstrate three-dimensional (3D) field-free alignment of the prototypical asymmetric top molecule indole using elliptically…

Dimers and trimers of carbonyl sulfide (OCS) molecules embedded in helium nanodroplets are aligned by a linearly polarized 160 ps long moderately intense laser pulse and Coulomb exploded with an intense 40 fs long probe pulse in order to…

Chemical Physics · Physics 2018-11-14 James D. Pickering , Benjamin Shepperson , Lars Christiansen , Henrik Stapelfeldt

Coulomb crystallisation of large ensembles of ions has in the past years been intensively studied experimentally with many spectacular results of relevance to infinite systems in one-, two-, and three-dimensions.While strings of a few ions…

Atomic and Molecular Clusters · Physics 2012-02-14 Michael Drewsen , Thierry Matthey , Anders Mortensen , Jan Petter Hansen

L-shell ionisation and subsequent Coulomb explosion of fully deuterated methyl iodide, CD$_3$I, irradiated with hard x-rays has been examined by a time-of-flight multi-ion coincidence technique. The core vacancies relax efficiently by Auger…

Single molecule imaging is one of the main target areas of X-ray free electron lasers. It relies on the possibility of orienting the large number of low counting statistics 2D diffraction patterns taken at random orientations of identical…

Atomic and Molecular Clusters · Physics 2012-11-30 Zoltan Jurek , Gyula Faigel

Coulomb dissociation is an especially simple and important reaction mechanism. Since the perturbation due to the electric field of the (target) nucleus is exactly known, firm conclusions can be drawn from such measurements. Electromagnetic…

Nuclear Theory · Physics 2011-07-19 Gerhard Baur , Kai Hencken , Dirk Trautmann

We address the feasibility of imaging geometric and orbital structure of a polyatomic molecule on an attosecond time-scale using the laser induced electron diffraction (LIED) technique. We present numerical results for the highest molecular…

Electron and ion acceleration in laser beam driven gas and solid-state plasmas are well-known and thoroughly investigated. Here we propose and numerically investigate an ion acceleration scheme using the Coulomb explosion of ion bunches…

Accelerator Physics · Physics 2025-01-28 Szabolcs Turnár , Zoltán Tibai , László Pálfalvi , Csaba Korpa , Gábor Almási , János Hebling

Cellular processes are governed by macromolecular complexes inside the cell. Study of the native structures of macromolecular complexes has been extremely difficult due to lack of data. With recent breakthroughs in Cellular electron cryo…

Quantitative Methods · Quantitative Biology 2018-06-12 Chengqian Che , Ruogu Lin , Xiangrui Zeng , Karim Elmaaroufi , John Galeotti , Min Xu

Ubiquitous to most molecular scattering methods is the challenge to retrieve bond distance and angle from the scattering signals since this requires convergence of pattern matching algorithms or fitting methods. This problem is typically…