Solving the inverse materials design problem with alchemical chirality

Combing through the “vast virtual set of all conceivable stable combinations of elements and structural configurations which form matter” is a daunting task in materials design. In the paper Simplifying inverse material design problems for fixed lattices with alchemical chirality, Anatole von Lilienfeld, professor at the Institute of Physical Chemistry at the University of Basel/University of Vienna and project leader of NCCR MARVEL Incubator Project 2 and postdoc Guido Falk von Rudorff, show how the concept of 4-dimensional chirality resulting from an alchemical reflection plane in the nuclear charge space allows researchers to break down combinatorial scaling. This alchemical chirality and the simplifications that it allows deepen our understanding of chemical compound space and enable researchers to establish new trends ‘on-the-fly,’ without resorting to empirical observation. The paper is forthcoming in Science Advances. 

Materials Cloud as official repository for Open Research Europe

We are very pleased to announce that the Materials Cloud platform developed by the NCCR MARVEL is now an official repository for Open Research Europe.

MARVEL Distinguished Lecture — Kristin Persson

The 23rd NCCR MARVEL Distinguished Lecture will be given by Prof. Kristin Persson, Professor of Materials Science and Engineering at the University of California Berkeley (USA) on "The Era of Data-Driven Materials Innovation and Design".

MARVEL Distinguished Lecture — Georg Kresse

The 24th NCCR MARVEL Distinguished Lecture will be given by Prof. Georg Kresse, Professor of Computational Materials Physics at the University of Vienna – with a talk entitled: "Finite temperature properties with first principles accuracy, is machine learning the way to go?"

MARVEL Distinguished Lecture — Darío Gil

The 25th NCCR MARVEL Distinguished Lecture will be given by Dr. Darío Gil, Senior Vice President and Director of IBM Research on "The Era of Accelerated Materials Discovery".

Meet the #NCCRWomen

Meet the NCCR women! To celebrate the 50th anniversary of women obtaining the right to vote in Switzerland, the 22 active NCCRs have joined forces in a campaign showing how in these 50 years women have come to occupy a central place in research in almost all scientific fields.

Path Integral Quantum Mechanics: From the Basics to the Latest Developments

The topic of this school is the path integral approach to quantum mechanics, which is one of the most computationally efficient methodologies for modeling quantum nuclear effects such as tunneling, delocalization, and zero-point fluctuations. 

Quantum Computing Hard- and Software Summer School 2021

Applications are now open for the first ever Quantum Computing Hard- and Software Summer School 2021, sponsored by MARVEL and ETHZ-EPFL.

MARVEL Junior Seminar — April 2021

The MARVEL Junior Seminar series is continuing in videoconferencing mode. We are therefore pleased to propose the 41st MARVEL Junior Seminar: Michele Kotiuga (THEOS, EPFL) and Sergi Vela (LCMD, EPFL) will present their research. The seminar will be chaired by Max Veit (COSMO, EPFL).

MARVEL Junior Seminar — May 2021

The MARVEL Junior Seminar series is continuing in videoconferencing mode. We are therefore pleased to propose the 42nd MARVEL Junior Seminar: Deb Sankar De (Uni Basel) and Fatmah Ebrahim (LSMO, EPFL) will present their research. The seminar will be chaired by Michele Kotiuga (THEOS, EPFL).

CECAM-MARVEL Classics in molecular and materials modelling: Daan Frenkel and Tony Ladd

Daan Frenkel (University of Cambridge) and Tony Ladd (University of Florida) will give a joint lecture in what will be the fourth event in the series "Classics in molecular and materials modelling" hosted by CECAM and MARVEL.