Kungl. Tekniska Högskolan Royal Institute of Technology
School of Biotechnology
Division of
Theoretical Chemistry
& Biology
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Most recent publications
Significant Contributions of Albrecht's A Term to Non-Resonant Raman Scattering Processes
Magnetism from Carbon Nanocoil Mixtures
Synthesis of a Neo-Confused Octaphyrin and the Formation of Its Mononuclear Complexes
Electron Dynamics in the Core-Excited CS2 Molecule Revealed through Resonant Inelastic X-Ray Scattering Spectroscopy
Investigation of the Binding Profiles of AZD2184 and Thioflavin T with Amyloid-β(1-42) Fibril by Molecular Docking and...
Photochromic Diarylethenes with Heterocyclic Aromatic Rings: Correlation between Thermal Bistability and Geometrical Cha...
A theoretical study on the molecular determinants of the affibody protein Z(A beta 3) bound to an amyloid beta peptide
Efficiency enhanced colloidal Mn-doped type-II core/shell ZnSe/CdS quantum dot sensitized hybrid solar cells
Molecular Dynamics Simulations using a Capacitance−Polarizability Force Field
(Click here to view the full publication list)
News & upcoming events
(click here for past events, news and seminars)

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".


Third European Joint Experiment/Theory Meeting on Membranes, organized at KTH 30 September - 2 October 2015

For details click here
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. Padmakumar Padmanabhan from IIT, Guwahati, India
Title: "Factors Influencing Fast Ion Transport in Solids: Insights from Recent Computational Studies",
Schedule: 10:00, August-21, 2015
Location: Hall RB15
o PhD Disputation by Yan Wang
Title: "Exploring Biopolymer-Clay Nanocomposite Materials by Molecular Modeling"
Schedule: 10:00, June-4, 2015
Location: Hall FB52

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!