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Theoretical and Computational Chemistry

(4)

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Working Paper

(4)

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Over 3 years

(4)

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Onur Çaylak

4 results in Authors: Onur Çaylak

Theoretical and Computational Chemistry

Excited-State Electronic Structure of Molecules Using Many-Body Green's Functions: Quasiparticles and Electron-Hole Excitations with VOTCA-XTP

Gianluca Tirimbò, Vivek Sundaram, Onur Çaylak, Wouter Scharpach, Javier Sijen, Christoph Junghans, Joshua Brown, Felipe Zapata Ruiz, Nicolas Renaud, Jens Wehner, Björn Baumeier

Version 1 posted 31 December 2019

621

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Theoretical and Computational Chemistry

An Evolutionary Approach to Constructing a Deep Feedforward Neural Network for Prediction of Electronic Coupling Elements in Molecular Materials

Onur Çaylak, Anil Yaman, Björn Baumeier

Version 1 posted 20 December 2018

710

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Theoretical and Computational Chemistry

Excited-State Geometry Optimization of Small Molecules with Many-Body Green's Functions Theory

Onur Çaylak, Björn Baumeier

Version 1 posted 19 October 2020

396

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Theoretical and Computational Chemistry

Machine Learning of Quasiparticle Energies in Molecules and Clusters

Onur Çaylak, Björn Baumeier

Version 1 posted 24 May 2021

305

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