The Jekyll-and-Hyde electron transfer chemistry of hydrogen bonds

First coherent picture of an atomic nucleus made of quarks and gluons
https://phys.org/news/2024-10-coherent-picture-atomic-nucleus-quarks.html

#PostDoc

Applications are invited for a Postdoctoral position at the University of Modena and Reggio Emilia, Italy. We are seeking highly motivated researchers for a 22-monthsposition.

Research Project

The research project relies on the use/development of advanced HPC ab-initio tools for computational design of novel materials for photocatalytic, photovoltaics and battery applications. Density Functional Theory (DFT), Time-Dependent Density Functional Theory (TDDFT), and Many-Body Perturbation Theory (MBPT) will be adopted to calculate structural, electronic, and primarily optical properties (both linear and nonlinear) of alloys, surfaces, and interfaces.

Qualifications:

PhD in Physics or a closely related field.
Proven expertise in ab-initio calculations of electronic and optical properties of solids, surfaces, and low-dimensional systems.
Strong mathematical and programming skills.
Preference will be given to researchers already in Europe or who can quickly obtain a residence permit in order to start the position possibly by the end of year.

Application Process:

We strongly encourage interested candidates to submit an Expression of Interest to Professor Ivan Marri (marri@unimore.it) and Professor Elena Degoli (elena.degoli@unimore.it). Your application should include:

A detailed CV with a list of publications.
A comprehensive denoscription of your scientific and computational background.
Contact information for at least one referee.

About UNIMORE:

UNIMORE boasts over 27,000 students and is located in the vibrant cities of Modena and Reggio Emilia, renowned for their high quality of life. The region surrounding UNIMORE is a hub for technological innovation, making it an ideal environment for cutting-edge research.

#PhD

Dear colleagues,

The newly formed Semiconductors and Microelectronic systems (SAM) group at TU Berlin has 2 open PhD positions in Neuromorphic Computing and Hardware for Artificial Intelligence (AI). We’re seeking passionate, self-motivated, and creative researchers eager to design and develop novel materials and devices for bio-inspired sensing and computing.

Inspired by the biological brain, our group will work on nanoelectronic materials and devices that host an innovative hardware-based AI—**neuromorphic computing**. This approach aims to overcome the limitations of software-based AI, enhancing energy efficiency, miniaturization, privacy, and scalability.

The SAM group is led by Prof. Priyamvada Jadaun, Chair Professor of Electrical Engineering and Computer Sciences at TU Berlin. Prof. Jadaun also holds a Visiting Scholarship at the University of California, Berkeley, USA, and an Affiliate position at Lawrence Berkeley National Laboratory, USA.

Please forward this opportunity to interested candidates. Application deadline: November 18, 2024.

🔗 More details on positions:
1. https://tub.stellenticket.de/en/offers/188619/
2. https://tub.stellenticket.de/en/offers/188620/

🔗 More on the group:
1. https://pjadaun.com
2. https://www.tu.berlin/en/sam

Cambridge Cheminformatics Meeting - 13 Nov, Hybrid (CCDC/on Zoom), free & open to all!

📅 Date: 13 November 2024
⏰ Time: 4pm (UK time)
📍 Location: Cambridge Crystallographic Data Centre (CCDC), Union Road, Cambridge/UK, or on Zoom.

🎟 Participation:
- In-person: Simply show up at the CCDC a bit before the start time.
- Online: Register at https://cam-ac-uk.zoom.us/meeting/register/tZ0lceCspjIqGtXbS--fKOlETHAlixsUNF9R#/registration

🔗 For more information about the event series, visit: https://c-inf.net/

Programme:

1. "My Learnings From Starting Standigm, a Leading Korean AI Drug Discovery Company"
📢 Speaker: Jinhan Kim, Standigm
🔗 More about the team: https://www.standigm.com/about/team

2. "Hypershape Recognition: a Generalised Moment-Based Molecular Similarity Framework"
📢 Speaker: Marcello Costamagna, University of Bergen
🔗 More about Marcello: https://kjeminytt.w.uib.no/2022/02/21/velkomen-marcello

3. "Comparison of Crystal Structure Similarity Algorithms and Analysis of Large Sets of Theoretically Predicted Structures"
📢 Speaker: Nicholas Francia, CCDC
🔗 More about Nicholas: https://scholar.google.es/citations?user=od-347UAAAAJ

🗣 Please circulate to anyone who might be interested!
The event is free and open to all. Looking forward to seeing many of you on the 13th!

The bugfix release ORCA 6.0.1 will be released today

ORCA 6 introduced significant changes to the ORCA code, marking a new era for the software. Naturally, a change of this magnitude comes with some unexpected bugs. Today’s release, ORCA 6.0.1, addresses these reported issues, and it is recommended to use this updated version instead of ORCA 6.0.0.

The ORCA 6.0.1 Linux & Windows distributions now contain the official XTB 6.7.1 binary !

So there is no need to install xtb separately, if that has not been done yet.


https://orcaforum.kofo.mpg.de/app.php/dlext/?cat=25

RELEASE NOTES: https://orcaforum.kofo.mpg.de/viewtopic.php?f=60&t=12475

A Bond-Based Machine Learning Model for Molecular Polarizabilities and A Priori Raman Spectra

Scientists just got 1 step closer to creating a 'superheavy' element that is so big, it will add a new row to the periodic table | Live Science
https://www.livescience.com/chemistry/elements/scientists-just-got-1-step-closer-to-creating-a-superheavy-element-that-is-so-big-it-will-add-a-new-row-to-the-periodic-table

The Elementary Multiperspective Material Ontology (EMMO)

The Elementary Multiperspective Material Ontology (EMMO) is the result of a multidisciplinary effort within the EMMC, aimed at the development of a standard representational ontology framework based on current materials modelling and characterization knowledge. Instead of starting from general upper level concepts, as done by other ontologies, the EMMO development started from the very bottom level, using the actual picture of the physical world coming from applied sciences, and in particular from physics and material sciences.

The EMMO has grown from the bottom (i.e. scientific application field) to the top (i.e. conceptualization), staying focused on the original scope while at the same time maintaining an approach as general as possible. The ontological framework has been built around concepts like elementary particles, wave-particle dualism, finiteness of space and time intervals coming from the perspective for experimental physics. The development of the middle and upper layers of the ontology has been functional to the respect of these low level concepts, to facilitate the understanding of the high level concepts to users with limited or no philosophical background.

https://emmo-repo.github.io/