Past seminars
Past seminars
Methane dissociation on Ni(111) and Pt(111): The effects of lattice motion and relaxation on reactivity
Sven Nave (Université Paris-Sud XI)
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Interferences in vibrationally resolved molecular photoelectron spectroscopy
Etienne Plésiat
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Polyatomic molecules in laser fields
Albert Stolow (National Research Council, Ottawa, Canada)
Attosecond time delay spectroscopy of the hydrogen molecule
Anatoli Kheifets (The Australian National University, Canberra, Australia)
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Autoionization dynamics of molecular hydrogen using XUV and IR pulses
Alexander Sperl (Max Planck Institut für Kernphysik, Heidelberg, Germany)
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Attosecond Transient Absorption Spectroscopy of doubly excited states in helium
Luca Argenti
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Dynamics and dimension - molecules and surfaces
Roar A. Olsen (SINTEF Materials and Chemistry, Oslo)
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Pushing for chemical accuracy in molecule-surface interactions: H2 interacting with metal surfaces
Geert-Jan Kroes (Leiden Insitute of Chemistry)
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Electron and nuclear dynamics of H2+ induced by intense ultrashort laser pulses
Rui Silva
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Porphyrins and Phthalocyanines: A Molecular View of their Potential Applications
Gloria Cárdenas
The RABITT technique to study strong field effects and continuum-continuum transitions in Helium
Álvaro Jiménez
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Control of molecular dynamics under strong laser fields
Jesús González-Vázquez
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Infrared Spectra of Alkyl Mercury Compounds
Merche Montero
Charge transfer between molecules and ultrathin insulating films deposited on metal surfaces
Maitreyi Robledo
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The role of intramolecular scattering in K-shell photoionization
David Ayuso
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Reactivity of doubly charged cations in the gas phase: insight from chemical dynamics and statistical approaches
Ana Martín Sómer
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Search for neutral and multiply charged coronene in the interstellar medium: a theoretical study
Chiara Paris
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Helium mediated deposition: Modeling the He-TiO2(110) interaction potential and application to the collision of a helium droplet from density functional calculations
Néstor Aguirre
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Theoretical insight into Singlet Oxygen Generation Mechanism in Standard and Oxygen Carrier Photosensitizers
Lara Martínez
Theoretical study on the fragmentation dynamics of L-Alanine2+
Estefanía Rossich
GridTDSE: A parallel code for Cartesian coordinate-based wave packet propagations in QMD. The case of hydrogen confined in SWCNTs
Jaime Suárez
Environment-driven reactivity of H2 on PdRu surface alloys
Cristina Díaz
Ultrafast wave packet dynamics in molecules clocked and induced by few-cycle UV pulses
Alicia Palacios
Formation dynamics of dumbbell fullerene dimers C118, C119 and C120 upon collisions between particle projectile and clusters of C60 molecules
Yang Wang
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A mixed B-splines and Gaussian basis for the accurate description of continuum states
Carlos Marante
Mechanical properties of epitaxial graphene on metallic surfaces
Daniele Stradi
A brief (hi)story on core hole calculations
Inés Corral
High-harmonic generation from the H2+ molecule
Fernando Martín
Fragmentations of amino acids in gas phase after ionization
Dariusz Grzegorz
Acrylonitrile adsorbed on Cu(100) and on Cu(100) previously coated with NaCl: Static and dynamics DFT study
Maitreyi Robledo
Collision induced dissociation in doubly charged cations
Ana Martín Sómer
Dynamics and control of open quantum systems: Charge transfer at an heterojunction and control of an isomerization
Aurélie Chenel
(Université de Paris Sud)
The position spread tensor behavior in molecules
Oriana Brea
Statistical fragmentation of molecular clusters
Néstor Aguirre
Rainbows, fast atoms, and surfaces
Helmut Winter (Institut für Physik der Humboldt-Universität, Berlin)
Structure and fragmentation of hydrogenated carbon clusters
Juan Pablo Sánchez
Electronic Structure Methods for Large Molecules and Novel Applications in Nanoscience
Krishnan Raghavachari (Department of Chemistry, sIndiana University)
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Ultrafast charge migration in phenylalanine initiated by attosecond pulses
David Ayuso
Modulation of attosecond beating in resonant two-photon ionization
Álvaro Jiménez
Molecular growth processes in Polycyclic Aromatic Hydrocarbon (PAH) clusters
Michael Gatchell (Stockholm University &
AlbaNova University Center)
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New simplied model to predict the stability of charged fullenes
Manuel Alcamí
Electron-Ion coincidence technique in photofragmentation studies
Dang Trinh Ha
Non adiabatic effects and symmetry breaking explained with a nutshell in a matchbox
José Luis Sanz-Vicario (Univ. Antioquía, Colombia)
X-ray AMO Physics at XFELs
Antonio Picón (Argonne National Laboratory, USA)
Around ferrocene and interacting ferrocenyl units
Mª Merced Montero
Ionization and Dynamics of Halomethanes
Pedro Fernández
Time resolved photoemission from dichalcogenides
Marcelo Ambrosio
Departamento de Química
UAM
DNA+Light: From intrinsic photostability of nucleic acid bases to modifications that enable treatment of skin cancer cells.
Carlos E. Crespo-Hernández
Department of Chemistry
Case Western Reserve University
Abstract: DNA is the carrier of genetic information for almost every organism on Earth. Remarkably, the genetic alphabet is composed of only four nucleobases, which is a prominent example of the narrow selection of organic molecules forming the basis of life. Multiple selection pressures that operated during early chemical and biological evolution have been proposed as the driving force for the selection of the contemporary nucleobases. Above all, there must have been an extreme selection pressure for protection against intense ultraviolet radiation, and photostability was likely a decisive criterion giving some heterocycle analogues a selective advantage for their incorporation into the first informational polymers. Emphasis in this area by our research group has recently focused toward elucidating the structural and electronic elements that regulate DNA photostability, and applying this fundamental information to advance nucleic acid derivatives for photo-therapeutic and structural-biology applications. Importantly, understanding how functionalization regulates the electronic relaxation pathways in nucleic acid bases can assist in the development of therapeutic drugs, crosslinking agents, and fluorescent biomarkers. It may also hold the key for understanding the molecular origins of life. In this presentation, I will show that fundamental physicochemical investigations can be used to develop analogues of the canonical DNA and RNA nucleobases exhibiting more than 100 nm redshifted absorption spectra and nearly 100% greater photoreactivity, which, when applied in vitro with a low dose of light, substantially decrease the proliferation of skin cancer cells.
Gauge-invariant TDCIS method for high-harmonic generation from atoms and molecules
Takuma Teramura
Department of Nuclear Engineering Management, School of Engineering,
University of Tokyo, Japan
Ab initio simulation of the angle-resolved photoelectron spectrum from atoms in intense laser pulses
Yuri Orimo
Department of Nuclear Engineering Management, School of Engineering,
University of Tokyo, Japan
Abstract: Laser technologies to generate intense femtosecond laser pulses and attosecond light pulses have opened strong-field physics and attosecond science. Photoelectron energy spectra (PES) and angle-resolved photoelectron energy spectra (ARPES), which are observed and analyzed to study electronic dynamics driven by laser pulses, are particularly important experimental probes in these fields. In this seminar, we present a numerical method to extract PES and ARPES from ab initio simulations, which combines the time-dependent surface flux (tSURFF) method, an efficient computational scheme to obtain photoelectron energy spectra, with the time-dependent multiconfiguration self-consistent-field (TD-MCSCF) method. Our development enables accurate ab initio computations of photoelectron energy spectra from multielectron systems subject to laser pulses with a computational cost significantly reduced compared to that required in projecting the total wave function onto scattering states. The present method is applied to the photoionization of Ne exposed to an attosecond extreme-ultraviolet (XUV) pulse and above-threshold ionization of Ar irradiated by an intense visible laser pulse for a demonstration of both accuracy and efficiency
Coherent control in chemical reactions
Juan Omiste
Departamento de Química, módulo 13,
IMDEA-Nanoscience
Progressive cluster approach to photoemission in transition metal dichalcogenides
By Marcelo Ambrosio
Attosecond photoionization delays in transition metal dichalcogenides
By Marcelo Ambrosio
Theoretical modeling of electron transport in single-molecule junctions
By Joel Fallaque
XCHEM description of vibrationally resolved RABBIT in the vicinity of Feshbach resonances of N2
By Vicent Borràs
Attosecond pump-probe numerical experiments in glycine and acetylene
By Jorge Delgado
Applications of structured light in high-order harmonic generation
Topic: Structured Light
By: Laura Rego
Abstract: Structured light beams exhibit spatially (or temporarily) dependent properties, such as phase, intensity, or polarization. In this talk we will see some applications of structured light in the non-linear interaction regime. In particular, vortex beams driving high-order harmonic generation allow us to create extreme-ultraviolet beams with time-varying orbital angular momentum, to control the polarization of the attosecond pulses, or to manipulate their frequency content. Finally, we will also show how light beams with structured polarization can serve as a tool for chiral discrimination.
NUCLEAR DYNAMICS OF FLEXIBLE CYCLIC MOLECULES: CONFORMATIONAL SPACE, PSEUDOROTATIONAL AND ROTATIONAL MOTIONS
Chemistry Department Seminar Series
By: Lorenzo Paoloni, postdoctoral researcher at the Chemistry Department (UAM)
Abstract: The theoretical description of the nuclear dynamics of flexible cyclic molecules was developed in the second half of the XX century by several scientists, partly to explain experimental results clearly affected by the presence of elusive large amplitude internal motions, partly to deal effectively with molecules which are not well suited to a description based on the most widespread internal coordinate systems.
After a brief introduction, an application of the ring puckering coordinates to the construction of one dimensional and two dimensional cuts of the potential energy surfaces (PESs) will be presented; moreover, a characterisation of pseudorotational and rotational motions of five-term ring systems will be proposed and discussed.
With regards to the analysis of 2D-PESs, special care is devoted to symmetry aspects, and analytical formulations of the computed 2D-PESs using suitable functional forms with a limited set of parameters are provided.
Solutions of the time-independent nuclear Schroedinger equation associated with the pseudorotational motion are illustrated and discussed for three five-term ring systems.
Recent advances in the first principle simulation of attosecond XUV pump - XUV probe ionization spectra
By: Gilbert Grell
Authors: Gilbert Grell , Jesús González-Vázquez , Piero Decleva , Alicia Palacios , Fernando Martín
Abstract:
Recently, tunable sub-fs soft X-Ray (SXR) pulses became available at the LCLS X-Ray free electron laser (XFEL) at intensities that exceed those of current SXR high harmonic generation (HHG) sources by several orders of magnitude [1]. This achievement overcomes the current intensity related limitation of HHG-based attosecond XUV pump-probe experiments to using sub-fs XUV or SXR pulses as either the pump or the probe field. Thus, the realization of nonlinear X-Ray spectroscopic experiments employing sub-fs SXR pulses for driving and interrogating ultrafast dynamics in molecules at the attosecond timescale now lies within arms reach of the scientific community, offering unprecedented insights into the coupled electron-nuclear dynamics at its natural, i.e., the electronic timescale.
To decipher the measured traces of the intricate attosecond dynamics, high level theoretical modeling of the final observable is a formidable and highly demanded tool.
However, accurate simulations of the individual steps, i.e., (i) the ionization by the sub-fs SXR pump, (ii) the ensuing coupled electron-nuclear dynamics, and (iii) the interaction with the sub-fs SXR probe are extremely challenging undertakings in their own right already.
Their combination in a single study limits the computationally tractable system size severely, in particular, if the time resolved photoionization spectrum is sought after, which requires ionization calculations of the transient molecular state.
In this talk we present our progress in devising a protocol that balances computational cost and accuracy to allow complete, (i)-(iii), simulations of sub-fs pump-probe photoionization spectra in the XUV to SXR photon energy range for small organic molecules.
Therein, CASPT2 wave functions are employed to describe the molecular bound states of the neutral and ionic species, while the continuum states of the outgoing electrons are obtained with the static exchange B-spline DFT method, allowing for an accurate evaluation of the pump and probe photoionization amplitudes. We then employ the clamped nuclei approximation and take into account the zero point energy spread of the nuclear wave function by averaging over an ensemble of molecular geometries sampled from the ground state Wigner distribution.
The performance of the outlined protocol will be scrutinized for the cases in which the dynamics induced by a pump valence ionization are interrogated by the probe pulse with either another valence ionization, or a core ionization, respectively. Further, the impact of the sudden approximation, i.e., disregarding the explicit modeling of the electronic continua, will be investigated for the probe ionization step.
References
[1] J. Duris et al. Nat. Phot. 14, 30 (2020)
Studying chirality using ultrashort laser pulses with structured polarization
Chemistry Department Seminar Series
By: Laura Rego (Margarita Salas Fellow, Univ. Salamanca)
Abstract: Chiral molecules are very relevant in many chemical and biological processes. For that reason, distinguishing between the two versions of a chiral molecule (called enantiomers) is vital, but it is also challenging using conventional methods. In this talk we will see several schemes to study chirality using ultrashort laser pulses. These laser pulses are intense, so they induce nonlinear phenomena in the chiral molecules, and they have nontrivial polarization structures. We take advantage of the structured polarization of the laser to discriminate between the two enantiomers or even to imprint chirality in atomic systems.
Host: Fernando Martín
Imaging electronic and atomic motion in molecules
Dr. Manish Garg
Max Planck Institute for Solid State Research, Germany
Tuesday, 21 March 2023 12:00
Place: Conference room (IMDEA Nanociencia).
Abstract:
Motion of electrons is at the heart of any chemical transformation, photo-induced charge or energy transfer process in molecules. Contemporary techniques in ultrafast science have the capability to generate and trace the consequences of this motion in real-time, but not in real-space. Scanning tunnelling microscopy (STM), on the other hand, can locally probe the valence electron density in molecules, but cannot provide by itself dynamical information at this ultrafast time scale. In my talk, I will show you how dynamics of coherent superposition
of valence electron states generated by < 5 femtosecond long carrier-envelope-phase (CEP) stable laser pulses, can be locally probed with angstrom-scale spatial resolution and 300 attosecond temporal resolution simultaneously, at the single orbital-level with the help of an STM, defying the previously established fundamental space-time limits [1-4].
Electronic motion in molecules is usually coupled with atomic motion, especially in molecules undergoing photo-induced charge/energy transfer, structural or chemical transformation. In order to understand this coupling, we have recently realized femtosecond broadband coherent anti-Stokes Raman spectroscopy (CARS) in an STM and it has enabled tracking of coherent atomic motions in a single graphene nanoribbon with subangstrom scale spatial, meV energy and ~30 fs temporal resolution, simultaneously [5-6]. Time-resolved CARS implemented in an STM is the key to probing both electronic and atomic motion at the same time.
1. Garg et al. Nature 359-363, 538 (2016).
2. Gutzler, Garg et al. Nature Reviews Physics 3, 441-453 (2021).
3. Garg et al., Nature Photonics, 16, 196-202 (2022).
4. Garg and Kern. Science 367 (6476), 411-415 (2020).
5. Luo et al. Nano Letters 22 (13), 5100-5106 (2022).
6. Luo et al. Under Review (2022). arXiv:2210.02561
Full Control of non-symmetric molecules orientation using weak and moderate electric fields
By: Dr. Juan José Omiste (Universidad Complutense de Madrid)
Abstract: In this talk, we introduce a novel approach to attain full control over the rotational dynamics of asymmetric molecules using Quantum Optimal Control Theory (QOCT) [1].Specifically, we make use of the coupling between an external electric field and the permanent dipole moment to manipulate the orientation of non-asymmetric molecules [2, 3]. Our research demonstrates that any axis of a non-asymmetric molecule can be oriented using QOCT.
We provide evidence of the efficacy of our approach by utilizing 6-chloropyridazine-3-carbonitrile as a prototype example [3].
Furthermore, we conduct a spectral analysis of the control field to gain a comprehensive understanding of the control mechanism and the underlying physical phenomena contributing to the molecular orientation control.
[1] J. Werschnik and E. K. U. Gross, Quantum optimal control theory. J.
Phys. B At. Mol. Opt. Phys. 40, R175 (2007).
[2] L. H. Coudert, Optimal orientation of an asymmetric top molecule with terahertz pulses. J. Chem. Phys. 146, 024303 (2017).
[3] R. González-Férez and J. J. Omiste, Full Control of non-symmetric molecules orientation using weak and moderate electric fields (Preprint).
Computational Modelling of Biological Processes
By Juan José Nogueira, Talento fellow of Comunidad de Madrid at the Chemistry Department (UAM)
Abstract: The simulation of biological processes is a complex task which requires the combination of different quantum and classical mechanical techniques. Moreover, these hybrid calculations are often performed within a dynamic framework to account for vibrational and conformational sampling. In the case where the process under investigation takes place on a long-time scale, the application of efficient sampling approaches may also be needed. In this contribution, the application of many of these methods will be illustrated by discussing the mechanisms of some biological events recently investigated by our research group, including the permeation of small molecules through lipid bilayers and the binding of drugs to proteins and DNA strands.
Real space and real time imaging of attosecond electron dynamics in molecules
By: Fernando Martín, Full Professor at the Chemistry Department (UAM)
Abstract: I will present recent experimental and theoretical work showing that direct visualization of the changes in the electron density can be achieves by combining ultrashor laser poulses and Scanning Tunneling Microscopy thus avoiding reconstruction from measured photoelectron or photoion spectra. M. Garg, A. Martín-Jiménez, Y. Luo, M. Pisarra, F. Martín, and K. Kern. “Real-space subfemtosecond imaging of quantum electronic coherences in molecules” Nature Photonics 16 196 (2022)
"Simulating real time Electron Dynamics and Ultrafast Spectroscopy (EDUS) in 2D semiconductors with excitonic effects"
Topic: Condensed Matter
By: Mikhail Malakhov (UAM)
Catching and steering atoms and electrons in action by short-wavelength free electron lasers
By: Prof. Kiyoshi Ueda from Tohoku University (Japan)
Abstract:
The seminar talk will illustrate status of the titled study with short-wavelength free-electron lasers (FELs), focusing on characteristic properties of different facilities. The advent of hard x-ray FELs, such as SACLA in Japan, opened a route to extract a structure of a single nanoparticle [1] and its change upon the intense laser irradiation that transforms the nanoparticle into a nanoplasma [2]. The first high repetition rate soft X-ray FEL, European XFEL, combined with REMI/COLTRIMS, made a long-standing dream to watch atoms in action, initiated by photoexcitation of a molecule, a tangible reality [3]. Generations of two-colour attosecond pulses at LCLS in the USA opened the door to watch charge in action that occurs in the attosecond timescale [4]. Generating phase-coherent multi-colour pulses at FERMI, on the other hand, provided a novel approach to coherently control the electronic wave-packet [5] and to read out the photoionization phase, or attosecond photoionization time delay [6]. I acknowledge all the collaborators in the authors list of [1-6] for fruitful collaborations.
References:
[1] A. Niozu et al. IUCrJ 7, 276 (2020); A. Niozu et al. PNAS 118, e2111747118 (2021).
[2] T. Nishiyama et al. PRL 123, 123201 (2019); A. Niozu et al. PRX 11, 031046 (2021).
[3] G. Kastirke et al. PRX 10, 021052 (2020); PCCP. 24, 27121 (2022).
[4] T. Barillot et al. PRX 11, 031048 (2021).
[5] K. Prince et al. Nat. Photon, 10, 176 (2016); D.
Molecular photoionization time delays. A full-dimensional study
By: Adrian Suñer
Abstract: The observation of electronic motion become possible after the realization of the first attosecond pulses (1 as = 10?18 s) [1,2]. It is thus nowadays possible to obtain real-time images of the formation and breaking of chemical bonds or to quantify the electron dynamics upon excitation or ionization processes [3,4]. In a photoionization event, the electron is ejected from an atom or a molecule after the interaction with an electromagnetic field. However, the emission is not instantaneous. How long does the electron wave packet require to escape? This is defined as photoionization time delay. The most successful experimental strategies to extract these photoionization time delays in atoms are the attosecond electron streaking [4, 5, 6] and the RABBITT technique [2, 7]. Both techniques use a pump-probe scheme, combining attosecond pulses with IR fields, to characterize the electronic wave packet, accessing the ultrafast dynamical information. The former uses a single pulse as a pump, while the latter uses a train of pulses.
Scarce works have been performed in molecules [8-10] to date and a solid theoretical ground to understand the physical meaning of a photoionization time delay when the electron is coupled to the nuclear degrees of freedom is still to be developed. We employ as benchmark system the simplest molecule, the hydrogen molecular ion. The dependencies with the nuclear degrees of freedom are investigated by performing, for the first time, full dimensional simulations to extract molecular photoionization time delays using the above-mentioned techniques and different molecule-laser relative orientations. Comparison with (semi-)classical trajectory Monte-Carlo simulations [11] allows to disentangle distinct classical and quantum contributions to the resulting streaking time delay.
Referencias:
[1] M. Hentschel et al., nature 414, 509 (2001)
[2] P M Paul et al., Science 292, 1689 (2001).
[3] F Krausz and M. Ivanov, Rev. Mod. Phys. 81, 163 (2009)
[4] N Nisoli, P Decleva, F Calegari, A Palacios and F Martín, Chem. Rev. 117, 10760 (2017)
[5] E Constant et al., Phys. Rev. A 56, 3870 (1997).
[6] J Itatani et al., Phys. Rev. Lett. 88, 173903 (2002).
[7] H G Muller, Appl. Phys. B 74, s17 (2002).
[8] R Pazourek et al., Rev. Mod. Phys. 87, 765 (2015).
[9] D Baykusheva and H J Wörner, J. Chem. Phys. 146, 124306 (2017).
[10] S Nandi et al., Sci. Adv. 6, eaba7762 (2020)
[11] Shvetsov-Shilovski N et al., Phys. Rev. A94, 013415 (2016)
Strong ?eld control of dissociation dynamics
By: María Eugenia Corrales, Postdoctoral Scientist at the Department of Chemistry (UAM)
Abstract:
With current technology, laser radiation can easily achieve electric fields that are intense enough to induce changes or even dramatically modify the behaviour of molecules. Thus, a strong external laser field can be regarded as an additional reagent in molecular processes such as chemical reactions, and one that may be used to steer the reaction towards desired targets. We have studied ultrafast molecular photodissociation processes taking place under the influence of strong laser fields.
We have shown that it is possible to modify observables such as quantum yields, lifetimes. translational energies, or spatial distributions of the ejected fragments, by using strong picosecond or femtosecond near-infrared pulses. The control is achieved by opening new strong-field-induced reaction channels, or by creating light-induced conical intersections and modulating the potentials around them by light-induced potentials. These control scenarios and the outlook for future work will be the subject of this presentation.
Crossing the bridge from molecular catalysis to an artificial cell for hydrogen fuel production through time-resolved X-ray spectroscopic approaches
Dooshaye Moonshiram (Ramón y Cajal, ICMM-CSIC)
Abstract: The search for sustainable ways to store and distribute energy is one of the most urgent scientific challenges in view of the rapid depletion of fossil fuels, environmental pollution and resulting climate emergency. A solution to the undergoing energy crisis can only be obtained through implementation of renewable sources and new low-polluting fuels. Solar-driven water splitting provides an efficient means of meeting our energy demands and storing energy in the form of a clean fuel (H2) and oxidant (O2). Hydrogen as an energy carrier further provides an attractive alternative to fossil fuels with its combustion producing only heat and water. The prospect of developing a hydrogen economy and using hydrogen as a carbon-free fuel has motivated the discovery of effective and robust catalysts that can lower the energy barriers to hydrogen production.
However, despite significant efforts, an understanding of these catalysts at a molecular level is still fundamentally lacking due to the limitations of commonly employed methodologies which are not detailed to assign both geometric and electronic structures at their respective reactive high oxidation states. In this context, time-resolved X-ray spectroscopic approaches provide a powerful means of capturing transient intermediate snapshots all the way towards the hydrogen evolution reaction. In this scenario, a laser pulse (pump) initiates a chemical reaction and an X-ray pulse (probe) at varying delays is used to interrogate its evolving electronic and structural response. This talk will demonstrate the reaction pathways of several earth-abundant photocatalytic complexes, examined in unprecedented detail with picosecond time resolution. Results shown will enable the rational design of homogeneous and heterogenized light-harvesters and photocatalysts for an artificial photosynthetic technology with solar to hydrogen efficiencies exceeding the current norm for H2 production from water.
TBA
Topic: Quantum Technologies
By: tbd
Organisers: Laura Rego, Gilbert Grell and Felipe Zapata
TBA
Topic: XChem
By: tbd
Organisers: Laura Rego, Gilbert Grell and Felipe Zapata
TBA
Topic: TOMATTO
By: tbd
Organisers: Laura Rego, Gilbert Grell and Felipe Zapata
TBA
Topic: RABBIT
By: tbd
Organisers: Laura Rego, Gilbert Grell and Felipe Zapata
TBA
Topic: XFELs
By: tbd
Organisers: Laura Rego, Gilbert Grell and Felipe Zapata
TBA
Topic: Relativistic effects
By: Felipe Zapata
Organisers: Laura Rego, Gilbert Grell and Felipe Zapata
High harmonic spectroscopy of strongly correlated and topological materials
By: Rui E. F. Silva, LaCaixa Junior Leader fellow, Instituto de Ciencias de Materiales de Madrid (ICMM-CSIC)
Abstract: The recent discovery of high harmonic generation in solids [1], merging the fields of strong field and
condensed matter physics, opened the door for the direct observation of Bloch oscillations [1], all-optical
reconstruction of the band structure [2] and direct observation of the influence of the Berry curvature in
the optical response [3].
In this work, we will focus on high harmonic generation in strongly correlated and topological materials. First, I will show how high harmonic spectroscopy can be used to induce and time resolve
insulator-to-metal transitions in strongly correlated materials, using the Hubbard model [4]. I will further demonstrate how high harmonic spectroscopy can be used to identify topological phases of matter
and how the Berry curvature leaves its fingerprint in the nonlinear optical response of the material [5].
Using a combination of w-2w counter-rotating strong circular fields, we demonstrate that we are able
to induce valley polarization in hexagonal 2D materials and use HHG spectroscopy to read the valley
polarization [6]. At last, I will show how the use of Wannier orbitals can be useful in the calculation of
the nonlinear optical response of solids [7].
[1] S. Ghimire et al., Nat. Phys., 7 138-141 (2011)
[2] G. Vampa et al., Phys. Rev. Lett., 115 193603 (2015)
[3] H. Liu et al., Nat. Phys., 13 262-265 (2017)
[4] R. E. F. Silva, I. Blinov, A. Rubtsov, O. Smirnova and M. Ivanov, Nat. Phot., 12 266-270 (2018)
[5] R. E. F. Silva, Á. Jiménez-Galán, B. Amorim, O. Smirnova, M. Ivanov, Nat. Phot., 13 849-854
(2019)
[6] Á. Jiménez-Galán, R. E. F. Silva, O. Smirnova, M. Ivanov, Nat. Phot., 10.1038/s41566-020-00717-
3 (2020)
[7] R. E. F. Silva, F. Martin, M. Ivanov, Phys. Rev. B, 100 195201 (2019)
TBA
Topic: Nuclear dynamics/Collisions
By: tbd
Organisers: Laura Rego, Gilbert Grell and Felipe Zapata
RABBITT delays and vibrationally resolved MFPADs
By: Celso Gonzalez
Abstract: In this talk, I will summarize several projects I have worked on, including the effect of molecular orientation on RABBITT delays of N2O and how photoionization angular distributions of ammonia are affected by umbrella motion, as well as some ongoing research regarding the study of electronic coherences in molecular dynamics within the AIMS framework.
TBA
Topic: Condensed Matter
By: tbd
Organisers: Laura Rego, Gilbert Grell and Felipe Zapata
TBA
Topic: XChem
By: tbd
Organisers: Laura Rego, Gilbert Grell and Felipe Zapata
TBA
Topic: TOMATTO
By: Juan Reino
Organisers: Laura Rego, Gilbert Grell and Felipe Zapata
Recent seminars
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