The exact factorization part I: Non-adiabatic molecular dynamic

Eberhard K.U. Gross, Fritz Haber Center Institute of Chemistry, Israel

Thursday, October 14,  2021 at 11 AM at Casali 253

Abstract

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Nanoscale Silicate Stardust: Astrochemical Relevance and Observational Signatures

Stefan T. Bromley, Institute of Theoretical and Computational Chemistry, University of Barcelona, Spain

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Encoding quantum-chemical knowledge into machine-learning models

Clemence Corminboeuf, EPFL, Switzerland

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Spectral properties of molecules and solids from Koopmans-compliant functionals

Nicola Colonna, Paul Scherrer Institut, Switzerland

Abstract

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  Read more about Donald J. Kouri passed away on February 9, 2021, He was 82,

The Fascinating Frictional Properties of Layered Materials

Oded Hod, School of Chemistry, Tel Aviv University

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On Electrons and Machine Learning Force Fields

Alexandre Tkatchenko, University of Luxembourg

Abstract

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Graph theory and the rovibrational energies of molecules

Attila G. Császár, Institute of Chemistry, ELTE Eötvös Loránd University, Budapest Hungary

Abstract

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Restart: The Science of Starting Anew

Shlomi Reuveni, The School of Chemistry, Tel Aviv University 

Abstract

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The taste of molecules: on bitterness, match-making and drugs

Masha Niv, The Institute of Biochemistry, Food Science and Nutrition and The Fritz Haber Center, The Hebrew University of Jerusalem

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Unmasked - Open Quantum Systems in the Golan Read more about Unmasked - Open Quantum Systems in the Golan

Modeling Nonadiabatic Dynamics in Nanoscale Solar Energy Materials
Alexey Akimov, Dept. of Chemistry, University at Buffalo, NY, USA
4 PM via Zoom: https://huji.zoom.us/j/9766578069 Read more about Fritz Haber Seminar: Alexey Akimov, University at Buffalo, New York

The Fritz Haber Symposium is held as part of the Bienial Beirat meeting. The symposium exhbits the scietific activities of the Center. It includes a series of short talks and several poster sessions. Read more about Fritz Haber Beirat Symposium 19 January 2021

Controlling self-assembly of amyloids and designed peptides
Fritz Haber Seminar: Yifat Miller, Dept.  of Chemistry, Ben Gurion University of the Negev Read more about Fritz Haber Seminar: Yifat Miller, Ben Gurion University of the Negev

Bridging Length and Timescales in Reactive Biomolecular Systems
David Furman, Dept. of Chemistry, University of Cambridge
Click here for the ZOOM presentation