The AttoChem network coordinates experimental and theoretical efforts to exploit the large potential of attosecond techniques in chemistry, with the aim of designing new strategies for the control of charge migration in molecules by directly acting on the attosecond time scale.

Currently the conference is planned as an in-person meeting.

The workshop is intended to provide an overview of the field and perspectives, and all European groups working in nearby research areas are welcome to participate.

The list of hitherto confirmed speakers is:

Registration for the workshop is free of charge and open until June 17, 2022. More detailed information is available at the conference website (https://attochem-prague.troja.mff.cuni.cz).

LOCAL ORGANIZER

Institute of Theoretical Physics, Faculty of Mathematics and Physics, Charles University

Institute of Organic Chemistry and Biochemistry, Czech Academy of Sciences

LOCAL ORGANIZING COMMITTEE

Dr. Tomáš Slanina | Dr. Zdeněk Mašín

reamed online.

The 4th MC meeting of AttoChem CA18222 Action will be held online on September 27, 2022 at 9.30 h. The official invitation, draft agenda, and access details have already been sent to MC members. Please, confirm participation through e-cost so we can verify in advance the fulfilment of the minimum quorum. 

Those MC members who are not able to attend can nominate a temporary MC substitute through e-cost (see page 35 of COST Annotated Rules: https://www.cost.eu/uploads/2021/10/COST-094-21-Annotated-Rules-for-COST-Actions-Level-C-2021-11-01-1.pdf)

Former MC Observers are welcome to attend (although with no voting rights). 

We are happy to announce our summer school on Scattering Theory at Gdańsk University of Technology. The school is for bachelor, master and doctoral students. For their participation the students will receive credits points according to the ECTS system.

The participation at the school is for free. For students from outside Poland we have a limited number of fellowships (2000 PLN – about 425 Euros) to support their travel and stay. The school will be organized in a hybrid way with three weeks (1 – 19 August) of online training (10 hours per week) and one week (22 – 26 August) stationary at our campus in Gdańsk. All lectures will be recorded. Therefore a complete participation online is also possible.

The 23rd European Conference on the Dynamics of Molecular Systems (MOLEC) will be held in Hamburg, August 21-26, 2022 according to the then German safety regulations. 

The conference format will be comprised of invited lectures, oral hot-topic communications, and poster presentations.

Pre-registration is now open and accessible at https://www.molec2022.org and will allow you to receive a notification for the upcoming registration period. 

Important dates can be also found at the link above.

Current list of confirmed speakers (in alphabetical order):

Keynote

Majed Chergui (École Polytechnique Fédérale de Lausanne, Switzerland)
Angel Rubio (Max Planck Institute for the Structure and Dynamics of Matter, Germany)
Olga Smirnova (Max Born Institute, Germany)
Tanya Zelevinsky (Columbia University, United States)

Invited

Luis Bañares (Universidad Complutense de Madrid, Spain)
Thomas Baumert (University of Kassel, Germany)
Valérie Blanchet (CELIA – CNRS, France)
Robert Continetti (University of California, San Diego, United States)
Ewine van Dishoeck (University of Leiden, The Netherlands)
Nirit Dudovich (Weizmann Institute of Science, Israel)
Wolf Geppert (Stockholm University, Sweden)
Tais Gorkhover (University of Hamburg, Germany)
Lola González-Sanchez (University of Salamanca, Spain)
Goulven Quéméner (University Paris-Sud, France)
Stephanie Gräfe (University of Jena, Germany)
Markus Gühr (University of Potsdam, Germany)
Brianna Heazelwood (University of Oxford, United Kingdom)
Geert-Jan Kroes (University of Leiden, The Netherlands)
María Pilar de Lara-Castells (Institute of Fundamental Physics (CSIC), Spain)
Nandini Mukherjeel (Standford University, United States)
Laurent Nahon (Synchrotron SOLEIL, France)
Françoise Remacle (University of Liège, Belgium)
Michael Robb (Imperial College, London, United Kingdom)
Henrik Stapelfeldt (Aarhus University, Denmark)
Manfred Mark (University of Innsbruck, Austria)

MOLEC 2022 organising committee,

Francesca Calegari (conference chair)

Jochen Küpper (conference co-chair)

The conference will be the 6th general conference for the worldwide Psi-k community, following very successful events held in San Sebastian (2015), Berlin (2010), and Schwäbisch Gmünd (2005, 2000, 1996).

This major conference – the largest worldwide in electronic-structure – brings together the community that is active in the field, as described by the Psi-k mission statement: “… to develop fundamental theory, algorithms, and computer codes in order to understand, predict, and design materials properties and functions. Theoretical condensed matter physics, quantum chemistry, thermodynamics, and statistical mechanics form its scientific core. Applications encompass inorganic, organic and bio-materials, and cover a whole range of diverse scientific, engineering, and industrial endeavours.”

The conference program will be structured around 3.5 days, that will include 6 plenary talks as well as 38 symposia in 6 parallel sessions (~120 invited talks and ~170 contributed talks).

With more than 1000 participants expected, it will be a key event in the field, offering an intense but enjoyable atmosphere, in addition to a chance to explore the beautiful region around Lausanne and Lake Geneva.

The aim of this conference series is to highlight experimental and theoretical aspects of atomic and molecular interactions. At MOLEC 2020, the focus will be on the following, non-exhaustive, list of topics:

• Astrophysics and -chemistry
• Chirality
• Clusters and droplets
• Molecular collisions and reactions
• Structural dynamics
• Ultrafast electron dynamics
• Ultracold chemistry
• Ultrafast surface chemistry and collisions

web: https://www.molec2020.org/

e-mail: info@molec2020.org

The 19th International Conference on Density Functional Theory and its Applications will be held in Brussels, Belgium, from August 28 to September 2, 2022. This conference will be organized as an “in person” conference.

The event will be the next in the great series of biennial meetings, which have taken place in Paris (1995), Vienna (1997), Rome (1999), Madrid (2001), Brussels (2003), Geneva (2005), Amsterdam (2007), Lyon (2009), Athens (2011), Durham (2013), Debrecen (2015), Tällberg (2017), and Alicante (2019).

The conference will cover a broad range of topics in the field, from the latest theoretical developments to cutting edge-applications in chemistry and physics, bringing together scientist from all over the world. The scientific program extends over five days and consists of 10 plenary and 16 invited lectures presenting the current state-of-the-art in the field. In addition, a total of 32 slots for contributed talks (15 min.) provide the opportunity to present your research at the large platform for DFT developers and users.

The registration is now open as well as the abstract submission.
Important dates
Early registration: 15/06/2022
Abstract submission: 01/06/2022
Registration deadline: 31/07/2022

The 19th International Conference on Density Functional Theory and its Applications will be held in Brussels, Belgium, from August 28 to September 2, 2022. This conference will be organized as an “in person” conference.

The event will be the next in the great series of biennial meetings, which have taken place in Paris (1995), Vienna (1997), Rome (1999), Madrid (2001), Brussels (2003), Geneva (2005), Amsterdam (2007), Lyon (2009), Athens (2011), Durham (2013), Debrecen (2015), Tällberg (2017), and Alicante (2019).

The conference will cover a broad range of topics in the field, from the latest theoretical developments to cutting edge-applications in chemistry and physics, bringing together scientist from all over the world. The scientific program extends over five days and consists of 10 plenary and 16 invited lectures presenting the current state-of-the-art in the field. In addition, a total of 32 slots for contributed talks (15 min.) provide the opportunity to present your research at the large platform for DFT developers and users.

The registration is now open as well as the abstract submission.
Important dates
Early registration: 15/06/2022
Abstract submission: 01/06/2022
Registration deadline: 31/07/2022

Organisers

• Mario Barbatti (Aix Marseille University)
• Pavlo O. Dral (Xiamen University)
• Majdi Hochlaf (Université Gustave Eiffel)
• Artur Izmaylov (University of Toronto)
• Dario Rocca (Université de Lorraine)
• Julia Maria Westermayr (University of Warwick)

The Machine Learning and Quantum Computing for Quantum Molecular Dynamics [MLQCDyn] school aims at offering state-of-the-art training in quantum molecular dynamics (QMD), machine learning (ML), and quantum computing (QC) to early-stage scientists, including PhD and postdoctoral researchers coming mainly from the molecular dynamics community. The MLQCDyn school is meant to be part of a Thematic Program of the Pascal Institute of the University Paris-Saclay that will span a total of 4 weeks and will be dedicated to the discussion of the implications of machine learning and quantum computing in the field of quantum molecular dynamics (funding for the thematic program has already been approved). The MLQCDyn school will open the Thematic Program, and some of the participants in the school (lecturers and students) will also remain for one or more of the following weeks. Such an event will strengthen the collaboration between Pascal Institute and the CECAM.

Nowadays, machine learning is routinely used in a wide range of industrial applications, ranging from targeted commercials on Google and Facebook to self-driving cars. Importantly, this field has been widely democratized by the diffusion of a series of freely available computer libraries such as Scikit-Learn and Tensorflow. It comes as no surprise that ML has recently attracted broad interest in atomic and molecular physics and computational chemistry communities. To mention a few examples, the current applications of ML in these fields include the classification of phases of matter [1], the description of many-body wavefunctions [2], prediction of molecular excited-state properties [3] and photodynamics [4], and the computational discovery of new compounds [5] and molecules [6]. Since the seminal works of Manzhos-Carrington [7] and Behler-Parrinello [8], the use of ML algorithms has also been proven to be effective in describing high-dimensional potential energy surfaces in the context of QMD. Equally promising new applications have emerged more recently, from the use of supervised ML in astrochemistry to train a predictor of the H₂ molecular density using a limited set of molecular lines in the Orion B molecular cloud [9], to the application of machine learning to the calculation of reactive cross-section [10], or to the first tests of these methods for optimizing coherent control [11].

Quantum molecular dynamics requires the (approximate and numerically expensive) solution of the electronic Schrödinger equation at each time-step of the simulation; by properly training an ML model, most of these expensive quantum mechanical calculations can be replaced by inexpensive predictions. The main outcome of this idea is that the quantum molecular dynamics can be simulated at a cost comparable to that of a classical force field. This type of methodology and its variants can be used, for example, to create general-purpose force fields [12], to treat huge systems with hundreds of millions of atoms [13], or to extend the applicability of sophisticated quantum approximations (e.g., coupled-cluster theory) to MD simulations [14], [15]. QMD also yields an enormous amount of data. Once more, ML models can be trained to analyze these data and automatically or semi-automatically recognize patterns and make classifications [3].

Quantum computing holds the promise to solve computational problems whose complexity would be intractable by traditional computers. Among those, the Schrödinger equation is considered a particularly suitable problem for QC. While classical computers can perform operations on bits that are either 0 or 1, quantum computers take advantage of superposition states to encode significantly more information in a quantum bit (qubit) form. Creating superpositions and entangling multiple qubits allows one to create exponentially more complicated wavefunctions required for the solution of the Schrödinger equation. Practical algorithms have been developed and implemented on real quantum hardware to compute the ground state energy of an interacting quantum many-body system [16], [17]. This field is evolving rapidly, and very recently, quantum algorithms have been proposed for the numerical computation of atomic forces [18] and ab initio molecular dynamics simulations [19]. As we are now entering the noisy intermediate-scale quantum (NISQ) era [20], quantum computers with 50 (or more) qubits will soon be available. They will allow computational scientists to address problems hardly solvable by classical computers.

Current research efforts in the development of quantum algorithms focus on various aspects, aiming to efficiently exploit quantum computers with a constantly increasing number of qubits and solve problems of interest in chemistry and physics. For instance, the treatment of noise caused by decoherence effects affecting each and any quantum systems, thus qubits as well, falls in the first category. It is becoming of utmost importance as quantum hardware evolves [19], [21]. However, for direct applications of quantum algorithms in QMD, probably the most interesting problems that the community is addressing are the use of quantum computers to improve ML algorithms [22], the unitary evolution of a quantum system to propagate quantum dynamics, and the development of techniques to map an “electronic configuration space” into qubit systems for electronic structure calculations [23].

The 16^th edition of the International Iberian Joint Meeting on Atomic and Molecular Physics (IBER-2022) is organized by the Spanish and Portuguese societies of Physics (RSEF and SPF) and will take place in Malaga (Spain) the days September 21-23, 2022. Málaga is one of the largest cities in southern Spain, with a rich history spanning more than 2800 years. The Conference Venue will be the Faculty of Medicine of the University of Malaga. 

 Please note:

• We have a good number of oral slots for young researchers (15 min)
• We will be awarding the “Delgado-Barrio” award to a young scientist (under 35 y.o.), including a prize of 2000 euros and Diploma.

The registration fees include the Conference materials, a three-day meal package and the Gala dinner. 
Early-bird registration will end JULY 7, 2022

 For details please visit www.iber2022.com, or write to contact@iber2022.com . 

The plenary speakers include:

• Aldo S. ANTOGNINI (ETH, Zürich – Paul Scherrer Institute, Villigen, CH)
• Elangannan ARUNAN (Indian Institute of Science, Bangalore, IN)
• José CRESPO LÓPEZ-URRUTIA (Max-Planck-Inst. für Kernphysik, Heildelberg, DE)
• Ronald F. GARCÍA RUÍZ (Massachusetts Institute of Technology, Cambridge-MA, USA)
• Berénger GANS (Institut des Sciences Moléculaires d’Orsay, Université Paris-Saclay, FR)
• Juan J. GÓMEZ CADENAS (Donostia Int. Physics Center, Donostia-San Sebastian, ES)
• Matteo LUCCHINI (Politecnico Milano, Milano, IT)
• José PIRES MARQUES (Universidade de Lisboa, P)
• Ricardo MATA (Georg-August-Universität Göttingen, Göttingen, DE)
• Michael MEYER (European XFEL, Schenefeld, DE)

Looking forward to meeting you in Malaga,

Alberto Lesarri, President GEFAM-RSEF

Jorge Miguel Sampaio, President DFAM-SPF