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58 results for News, Computational Electronic Structure Theory (CEST), Computational Electronic Structure Theory (CEST)

Ten new Academy projects awarded to the School of Science

The projects will investigate questions from nuclear fusion, solar energy, bio inspired materials, and many more
Research & Art
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The professors

Tuomas Rossi awarded Academy of Finland Postdoctoral Grant

Tuomas Rossi, a Marie Curie Fellow at Chalmers University, was awarded an Academy Postdoctoral Grant to work in the CEST group at the Department of Applied Physics.
Research & Art
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Photo showing Tuomas Rossi

Emil Aaltonen Foundation Grant Awarded to Jari Järvi

Jari Järvi from the CEST group has received an Emil Aaltonen extension grant for his Ph.D. studies.
Research & Art
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Logo of Emil Aaltonen Foundation

Jeyakumar Karthikeyan to Receive the Indian Inspire Faculty Fellowship

Jeyakumar Karthikeyan has been awarded the five year "Inspire Faculty Fellowship" by the Indian Ministry of Science and Technology.
Research & Art
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Logo displayed of Indian Inspire Fellowship Scheme

Novel Materials Discovery Laboratory (NOMAD) receives EU funding

NOMAD was recognized as a Centre of Excellence in Exascale Computing in a recent EU funding call.
Research & Art
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The background is white and the resolution is high

Benchmarking Core Excitations

High level quantum mechanical calculations produce a benchmark dataset of 1s core levels for organic molecules
Research & Art
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Table of contents figure

CEST goes Oodi

CEST group members contributed an exhibit to the Aalto Junior winter break program at Oodi Library
Research & Art
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The CEST research group participated in the Aalto Junior's program at Oodi in Feb 2020

Molecular big data

Using quantum mechanical calculations, a dataset of 62k organic molecules was generated
Press releases
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Dataset overview and dataset statistics for 62k dataset of organic molecules and their properties

Data sharing is the future of materials research

Solving global challenges requires new materials, and developing these means we need to rethink our data sharing
Research & Art
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An illustration showing a cloud with a search bar connected to different materials, representing the concepts to the Materials search engine

Unravelling the microscopic structure of materials

XPEC, a project led by Miguel Caro and Dorothea Golze, has been granted 12.5 million hours of computing time to pilot-test CSC's (IT Center for Science) new supercomputer facilities.
Research & Art
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XPEC/picture: Dorothea Golze

AI is enabling better building blocks for our devices

It’s not only changing the way we process data, AI changing how we carry out research, period.
Research & Art
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Smart Art - new materials

One atom at a time

AI is not only changing the way we process data, it’s changing how we carry out research, period.
Aalto Magazine, Research & Art
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Milica Todorovic and Patrick Rinke. Photographer: Venla Helenius.

CEST gets massive computational hours from Argonne National Laboratory

Proposal "Materials and Interfaces for Organic and Hybrid Photovoltaics" receives a 2019 INCITE award by ALCF.
Research & Art
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CEST's postdoc Amber Geurts competing for the 2018 Skolar Award

Postdoc Amber Geurts: Finalist of 2018 Skolar Award.
Research & Art
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New paper published in New J. Phys.

CEST's paper on multiscale modeling of perovskites is published in New Journal of Physics.
Research & Art
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Extension of Wihuri doctoral grant for Lauri Himanen

Lauri Himanen receives 2nd-year doctoral funding from the Wihuri Foundation.
Studies
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CEST and SIN publish new paper on npj Computational Materials

Lauri Himanen, Patrick Rinke and Adam Foster publish a new scheme for topological classification of materials structures on npj Computational Materials.
Research & Art
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CEST's Paper published in International Journal of Molecular Science

Optical Properties of Silver-Mediated DNA from Molecular Dynamics and Time Dependent Density Functional Theory
Research & Art
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