Postdoctoral Fellowship in India for Indian citizen

If you have defended or submitted your PhD thesis and have experience in DFT and MD simulations or Machine learning techniques, and want to pursue postdoctoral research in India, write to me ( Dr. Sarbani Ghosh: sarbani.ghosh@pilani.bits-pilani.ac.in) by 31st July. The screening will be started immediately.

PhD in Out-of-equilibrium and strongly correlated quantum matter

A Ph.D. position, starting in October 2023, on out-of-equilibrium and strongly correlated systems is available at the Department of Physics of the University of Salerno, Italy in the group of Prof. Adolfo Avella.

The research project regards the development and the application of novel theoretical methodologies for the analytical study and the numerical simulation of the optical (differential transient reflectivity, absorption, and transmission) and the spectroscopical (Tr-ARPES) response of real quantum materials brought out-of-equilibrium in pump-probe and/or electromagnetic cavity experimental setups. The main objective is to describe and understand the out-of-equilibrium behavior and time evolution of photo-injection processes, unconventional superconductivity, topological behavior, and strong correlations in prototypical semiconductors and transition-metal oxides for application in future electronics. The research project is carried out in close connection with a few teams of very excellent experimentalists in the field of ultrafast out-of-equilibrium solid-state physics.

Candidates should have adequate theoretical and/or computational physics skills, particularly for strongly-correlated and out-of-equilibrium systems [e.g. (non-equilibrium) Green's functions].

Application Deadline 18/08/2023

Please, send CV and expression of interest to:
Prof. Adolfo Avella
https://docenti.unisa.it/adolfo.avella
Dipartimento di Fisica "E.R. Caianiello"
Università degli Studi di Salerno
Italy

Physicists achieve breakthrough in Monte Carlo computer simulations
https://phys.org/news/2023-07-physicists-breakthrough-monte-carlo-simulations.html

CP2K v2023.2 is available

The second CP2K release of the year is available bringing several new features for PBC computational chemistry:
* GW: Periodic open-shell and Splitting of electronic states due to spin-orbit coupling (#2639, #2831)
* GTH pseudopotential database file with spin-orbit coupling (SOC) parameters added (#2848)
* RTP: TD Field Velocity gauge and projection TD-MOs (#2623, #2744)
* RTP: Linear density delta kick and restart (#2543)
* RTP: Enabled ADMM with GAPW (#2729)
* Implementation of the NVPT for APTs and AATs in velocity form (#2568, #2561)
* Intrinsic Atomic Orbitals (#2707)
* Machine Learning: Add PyTorch interface, Nequip and Allegro models (#2420, #2528, #2722)
* k-points: Implementation of the DIIS/Diag. solver (#2721)
* TDDFPT: SOC absorption (#2859)
* GAPW triplet excitation energies and forces (#2837, #2861)
* EC: Enable DC-DFT with HFX-ADMM for reference and DC calculation (#2780)
* Add cell symmetry HEXAGONAL_GAMMA_120 (#2758)
* Grid: Rename backends, change default to CPU (#2772, #2775, #2778)
* Grid: Enable GPU acceleration for large basis sets (#2787, #2793)
* FM: Add experimental support for NVIDIA cuSOLVERMp (#2860)
* Regtesting: Add --smoketest option (#2501)
* Add support for MPI Fortran 2008 bindings (#2486)
* Add support for Apptainer/Singularity containers (README)

https://github.com/cp2k/cp2k/releases/tag/v2023.2

Chile DFT Analysis of LK-99 Superconductor | NextBigFuture.com
https://www.nextbigfuture.com/2023/08/chile-dft-analysis-of-lk-99-superconductor.html

New property of hydrogen predicted
https://phys.org/news/2023-08-property-hydrogen.html

Algorithm out of Google’s DeepMind finesses DFT calculations | Research | Chemistry World
https://www.chemistryworld.com/news/algorithm-out-of-googles-deepmind-finesses-dft-calculations/4014939.article

Lanzhou University DFT Analysis Says Oxygen is the Key for Quality Superconducting in LK99 - Recommends Annealing in Oxygen | NextBigFuture.com
https://www.nextbigfuture.com/2023/08/lanzhou-university-dft-analysis-says-oxygen-is-the-key-for-quality-superconducting-in-lk99-recommends-annealing-in-oxygen.html

🔓 Open Access — Understanding chemistry with the symmetry-decomposed Voronoi deformation density charge analysis

https://onlinelibrary.wiley.com/doi/full/10.1002/jcc.27184?campaign=woletoc

Science Talks Lecture 69: First Principle Computational Chemistry: From ...
https://youtube.com/watch?v=dx_quy2v7TU&feature=share

How Quantum Mechanics Predicts All The Elements
https://youtube.com/watch?v=tq_y1qOmUBE&feature=share

Study discovers pairing of electrons in artificial atoms, a quantum state predicted more than 50 years ago
https://phys.org/news/2023-08-pairing-electrons-artificial-atoms-quantum.html

Deciphering the molecular dynamics of complex proteins
https://phys.org/news/2023-08-deciphering-molecular-dynamics-complex-proteins.html

(OPEN ACCESS) - Roadmap on electronic structure codes in the exascale era
—
Exascale computing promises to provide immense computing power for electronic structure calculations— but are current codes prepared to take full advantage of the benefits? This paper provides an overview of 14 electronic structure software packages: where they are now, where they plan to be in five years, and how they plan to adapt to the challenges and reap the rewards of new exascale computing infrastructure.

https://iopscience.iop.org/article/10.1088/1361-651X/acdf06

Theorists Keep Finding Paths to Superconductivity When Analyzing LK99 | NextBigFuture.com
https://www.nextbigfuture.com/2023/08/theorists-keep-finding-paths-to-superconductivity-when-analyzing-lk99.html

Scientists confirm decades-old theory of non-uniform distribution of electron density in aromatic molecules
https://phys.org/news/2023-08-scientists-decades-old-theory-non-uniform-electron.html