Kungl. Tekniska Högskolan Royal Institute of Technology
School of Biotechnology
Division of
Theoretical Chemistry
& Biology
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Most recent publications
Quantum Mechanics Capacitance Molecular Mechanics Modeling of Core-Electron Binding Energies of Methanol and Methyl Nitr...
A Blue-Light-Emitting BODIPY Probe for Lipid Membranes
Self-assembly and hybridization mechanisms of DNA with cationic polythiophene
Strong Electronic Coupling Dominates the Absorption and Fluorescence Spectra of Covalently Bound BisBODIPYs
Landau-like states in neutral particles
Study of double core hole excitations in molecules by X-ray double-quantum-coherence signals: a multi-configuration simu...
Nine-ring Angular Fused Biscarbazoloanthracene Displaying A Solid State Based Excimer Emission Suitable for OLED Applica...
Decoration of Gold Nanoparticles with Cysteine in Solution: Reactive Molecular Dynamics Simulations
Optical Properties of Gold Nano-Clusters Functionalized with a Small Organic Compound: Modelling by an Integrated Quantu...
(Click here to view the full publication list)
News & upcoming events
(click here for past events, news and seminars)

Prof. Hans Ågren has been awarded a guest professorship at the Harbin Institute of Technology, China


Prof. Hans Ågren receives the 2015 Gold medal of the International Association of Advanced Materials "for notable and outstanding research in Materals Science and Technology".

o Dr. Doc. N Arul Murugan has become an associate editor for the Journal, Advanced Materials Letters.


Professor Hans. Ågren receives the Björn Roos award in theoretical chemistry.

For details refer to KTH NEWS.

Invited Seminar series at Theoretical Chemistry & Biology

Internal Seminars at TheoChemBio-2015 Spring

o Seminar by Dr. Tymish Ohulshansky, ILPB lab, SUNY,USA.
Title: "Upconverting nano-particles for bioimgaing and energy harvesting applications",
Schedule: 11:00, December-2, 2015
Location: Hall RB15
o PhD Disputation by Asghar Jamshidi Zavaraki
Title: "Engineering Multicomponent Nanostructures for MOSFET, Photonic Detector and Hybrid Solar Cell Applications"
Schedule: 10:00, December-16, 2015
Location: Hall RB33 Opponent: Prof Kevin J Webb, Purdue University, USA

Latest Research

News on the latest research from the Department of Theoretical Chemistry & Biology. For more information on the specific projects click on the figures above, and for information on the research fields please visit our research site..

(click here for earlier papers)
o Paper in Nature Communications
Professor Faris Gelmukhanov and Professor Hans Ågren recently published a paper in Nature Communications which is entitled "Site-selective photoemission from delocalized valence shells induced by molecular rotation".
o Paper in Nature Photonics
Professor Faris Gelmukhanov and Professor Hans Ågren recently published a paper in Nature Photonics which is entitled "Einstein-Bohr recoiling double-slit gedanken experiment performed at the molecular level - complementarity unveiled by decoupling coupled slits".
o Courses
o Diploma Work (Ex-jobb)
   more networks
The division of Theoretical Chemistry & Biology was established at KTH in 1999. We are located at the Albanova University Center - please come and see us! Our work is computer based, and consists mostly of the modeling of microscopic systems - that is we use mathematical models to simulate such systems in order to describe their properties, spectra and reactions. This could mean a molecule, a cluster, a polymer, a segment of a protein, a functional center in an enzyme, or a species which is dissolved in a solvent or adsorbed on a surface. The modelling is mostly, but not always, based on theories related to quantum mechanics. We have common projects among ourselves and with other biologists, chemists and physicists, here and elsewhere. We are also involved in teaching and seminars. If you want to learn more about us just click the areas above!