Theses

Pd-nanoalloys for hydrogen sensing: Multiscale modeling of thermodynamic and optical properties Permalink

P. Ekborg-Tanner, Licentiate Thesis (2022)

Optical properties of point defects in insulators and of transition metal dichalcogenides Permalink

C. Linderälv, Doctoral Thesis (2022)

Machine learning models for molecular potential energy surfaces Permalink

V. Martvall, Master′s Thesis (2022)

Excitons in Perovskites Microscopic Modelling of Exciton Spectra in Perovskites and Exciton-Phonon Coupling Permalink

A. Joki, Master′s Thesis (2022)

Unlocking the potential of a caged star: Thermoelectric quaternary clathrates Permalink

J. Brorsson, Doctoral Thesis (2021)

There Is an Alloy at the End of the Rainbow: Structure and Optical Properties From Bulk to Nano Permalink

J. M. Rahm, Doctoral Thesis (2021)

Opto-vibrational coupling in molecular solar thermal storage materials Permalink

G. Kostaras, Master′s Thesis (2020)

Optical response of nanoalloy hydrogen sensors from first-principles Permalink

V. Rosendal, Master′s Thesis (2020)

Hot-carrier generation and transfer across nanoparticle-molecule interfaces Permalink

J. Fojt, Master′s Thesis (2020)

Everything is imperfect: Studies on point defects in insulators Permalink

C. Linderälv, Licentiate Thesis (2020)

Atomic scale modeling of ordering phenomena Permalink

M. Ångqvist, Doctoral Thesis (2020)

Structure and chemical ordering in metallic nanoparticles from atomic scale modeling Permalink

J. M. Rahm, Licentiate Thesis (2019)

Ordering and segregation in the PdAuCu system: Bulk vs. surface Permalink

P. Tanner, Master′s Thesis (2019)

Modeling colloidal nanoparticles: From growth to deposition Permalink

J. Löfgren, Doctoral Thesis (2019)

Chemical Ordering in Zeolites: A computational study of the aluminium distribution in SSZ-13 Permalink

M. Fant, Master′s Thesis (2019)

Thermal transport in van der Waals Solids and Inorganic Clathrates from first-principles calculations Permalink

D. Lindroth, Doctoral Thesis (2018)

Atomic scale modeling of ordering phenomena in inorganic clathrates Permalink

M. Ångqvist, Licentiate Thesis (2018)

An efficient approach for extracting anharmonic force constants from atomistic simulations Permalink

F. Eriksson, Master′s Thesis (2018)

First principles study of tungsten-based alloys: From defect thermodynamics to phase diagrams Permalink

L. Gharaee, Doctoral Thesis (2017)

Elements of modeling nanoparticle growth: Surface thermodynamics and dispersive interactions Permalink

J. Löfgren, Licentiate Thesis (2017)

Thermodynamics and Optical Response of Palladium-Gold Nanoparticles Permalink

J. M. Rahm, Master′s Thesis (2016)

Structural and thermodynamical properties of tungsten oxides from first-principles calculations Permalink

C. Linderälv, Master′s Thesis (2016)

Some phonons wander by mistake, into the mess where symmetry breaks: Understanding low thermal conductivity by first-principles calculations Permalink

D. Lindroth, Licentiate Thesis (2016)

Defect properties in dilute tungsten alloys from first-principles calculations Permalink

L. Gharaee, Licentiate Thesis (2015)

The battle between Energy and Entropy: Molecular Dynamics and Free Energies Permalink

F. Eriksson, M. Kjelltoft, O. Larsson, and M. Svensson, Bachelor′s Thesis (2014)

Chemical ordering in inorganic clathrates and its effect on materials properties Permalink

M. Ångqvist, Master′s Thesis (2014)

Thermodynamics of gold nanoparticle growth: A first-principles investigation Permalink

H. Shekhar, Master′s Thesis (2013)

One-shot free energy calculations for crystalline materials Permalink

T. Andersson, Master′s Thesis (2012)

Magnetic and Chemical Contributions to Interface: A Monte Carlo Simulation Study Permalink

M. Ångqvist, E. Fransson, E. Jedvik, and J. Lövgren, Bachelor′s Thesis (2012)