PDF Molecular Collision Dynamics

Free download. Book file PDF easily for everyone and every device. You can download and read online Molecular Collision Dynamics file PDF Book only if you are registered here. And also you can download or read online all Book PDF file that related with Molecular Collision Dynamics book. Happy reading Molecular Collision Dynamics Bookeveryone. Download file Free Book PDF Molecular Collision Dynamics at Complete PDF Library. This Book have some digital formats such us :paperbook, ebook, kindle, epub, fb2 and another formats. Here is The CompletePDF Book Library. It's free to register here to get Book file PDF Molecular Collision Dynamics Pocket Guide.

How long the events take place? Hours, minutes, seconds, milliseconds - what can you really do during this period of time?

Atomic and molecular collision processes

Here, I would like to introduce you to the fantastic ultrafast world of changes, to the time scale in which the chemical reactions take place! With the advent of the laser pulses of such ultrashort duration an unprecedented opportunity was given to investigate and observe the nuclear and electron motion in real time.

Submission history

Now, it is possible to watch molecular 'movies' in which molecules are playing the main roles! With DYNAMICOL, we wanted to exploit these discoveries to gain a deep understanding into the real-time charge transfer in molecular collisions especially at very low-energies. This has been performed by developing innovative theoretical methodologies - known as wavepacket propagation techniques - which allow the description of the elementary processes taking place during the collision.

This requires models as we have chosen, simple enough to be computationally attractive and including sufficient details of the problem to reproduce the essential features of the process. In DYNAMICOL, we employed the time dependent wavepacket methodology developed by Dr Marta Labuda to treat ion-atom collisions, so that we can test the accuracy of the developed technique and extent it to the calculation of charge transfer cross sections with impact energies far below 1 keV.

The wave packet propagation technique is useful in obtaining a time-dependent picture of the collision, which can reveal the complexity of the process, such as the interference effects arising from the intersections of the different channels of collision. These effects are visible in the time evolution of the wave packet and give rise to structure in the differential cross sections. Combining the data obtained by using merged-beam apparatus at low-energies with the time-dependent wave packet simulations we brought a detailed insight in the dynamics of CT phenomena.

A wide range of the communities involved in this field of studies may be interested of the results obtained in the project. Finally, the DYNAMICOL project has a multidisciplinary character since it integrates concepts from fundamental physics, astrophysics and chemistry, and even biophysics, which we expect will lead to promising results and fruitful cooperation.

By gaining deeper insight into the dynamics of collision induced CT processes on the ultrafast time scale, we can foresee strong and direct impact on different areas in medicine, photochemistry and nanotechnology that might lead to future applications. Moreover, the work has been presented in different international conferences and workshops.

Navigation and service

Besides the scientific training objectives, Dr Marta Labuda has been involved in other activities inside the group of Prof. Jozef E. Sienkiewicz providing her the possibility to increase her competencies as a highly qualified scientist. All of experience gained during the fellowship published results, collaboration and participation in scientific conferences, transfer of knowledge with the students and colleagues, reintegration with the host institution make her capable of achieving a competitive career as an independent scholar, supervising and supporting other young researchers.

Summarising, during the MC Reintegration Fellowship Dr Marta Labuda has been supported in the development of state-of-the-art quantum chemistry and reaction molecular dynamical methods as well as in their applications in systems of different size and complexity. The multidisciplinary character of the project has integrated different concepts from chemistry, physics and biophysics, which we expect will lead to promising results and fruitful co-operations.

The prestige associated with the Marie Curie Fellowships certainly offered me a wide range of subsequent possibilities for continuing research career. Now, I can work independently in my homeland bringing here a high expertise in the area of theoretical physics and quantum chemistry.


With an individual fellowship, the Marie Curie programme offered me a support and gave the opportunity to complete my scientific projects as well as enhanced mobility and my reintegration with scientific community in Poland. The experience and complementary skills gained during the fellowship are crucial for establishing myself as an independent scientist in the field of the ultrafast dynamics. The financial contribution of the ERG supports my efforts to set up my own research group at my alma mater in Poland.

Bringing the new, innovative scientific methodologies applied to physical processes at the Gdansk University of Technology, will help to attract and open up opportunities for other researchers and industrial partners.

Applications to collisional energy transfer

The interdisciplinary distinction of the DYNAMICOL project and applied methodologies can be employed in other areas of research within European Community, specifically those regarding medicine, bioelectronics and technological applications of the lasers with ultrashort pulses. Most Downloaded. Chatterjee , C. Sarkar, A. Adak, U. Mukherjee, S. Ghosh, S. Hopke , David D. Cohen, Bilkis A. Begum, Swapan K. Differences between observed and calculated spectra are shown below the experimental spectra.

  1. South Pacific Property Law.
  2. [] Gaussian Process Model for Collision Dynamics of Complex Molecules;
  3. Barrons graduate record examination, 18th Edition?
  4. Piano Trio Bb Major D28 - Cello.
  5. Bibliographic Information!

We are also exploring the possibility of using the CP-FTS Chirped-Pulse Fourier Transform Spectrometer to study inelastic collisions and to derive state-to-state rate coefficients experimentally, by taking advantage of its fast, broadband pump-probe ability. In the vast majority of cases, rate coefficients are derived from numerical calculations and experimental studies are often missing.

We apply complex pump-probe sequences to record the kinetics of rotational inelastic collisions. The thermal distribution of states is altered by the pump pulse that perturbs the population of the two rotational states involved in a single rotational transition. The resulting deviation from equilibrium is then propagated to other states due to resonant collisions and interrogated by probe pulses at different pump-probe delay times.