Atomic interactions, quantum mechanics and disease.

I am developing and applying novel quantum mechanical methodologies using world's fastest supercomputers to help solve important biological problems. The complexity of problems I have worked with spans elucidation of atomic structure in optics to understanding carbon nanotubes to currently solving toxicity in proteins within our brains that lead to Alzheimer's disease:

  • Optics: determination of atomic structure in infinitely disordered materials for use in active and passive optics such as flash memory technologies.
  • Drug Delivery: obtaining fundamental properties of carbon nanotubes for targeted drug delivery within our bodies.
  • Neurology: identifying and preventing the formation of proteins that cause toxicity in our brains that lead to Alzheimer's disease.

Primary Research

Using quantum mechanics to cure Alzheimer's disease.

I am working on the identification of specific interactions between atoms that lead to the production of toxic clumps resulting in Alzheimer's disease. The impact of this work to those suffering from Alzheimer's could be immense (see infographic below) because the ability to target drugs precisely to those atoms responsible for disease dramatically increases the likelihood of an effective cure.


Additional Research

Quantum mechanics, rigid motion movements and mitochondrial carrier proteins.

I have ongoing collaborations with the University of Cambridge and the Medical Research Council Mitochondrial Biology Unit in Cambridge, UK to understand how the ADP/ATP mithochondrial carrier protein works.




7. PDF The transport mechanism of the mitochondrial ADP/ATP carrier.

E.R.S. Kunji, A. Aleksandrova, M.S. King, H. Majd, V.L. Ashton, E. Cerson, R. Springett, M. Kibalchenko, S. Tavoulari, P.G. Crichton, J.J. Ruprecht
Biochimica et Biophysica Acta (BBA) - Molecular Cell Research (2016) doi:10.1016/j.bbamcr.2016.03.015


6. PDF Inhibiting amyloid β-protein assembly: Size-activity relationships among grape seed-derived polyphenols.

E.Y. Hayden, G. Yamin, S. Beroukhim, B. Chen, M. Kibalchenko, L. Jiang, L. Ho, J. Wang, G. M. Pasinetti, D. B. Teplow
Journal of Neurochemistry (2015) doi:10.1111/jnc.13270


5. PDF Structural composition of first-neighbor shells in GeSe2 and GeSe4 glasses from a first-principles analysis of NMR chemical shifts.

M. Kibalchenko, J.R. Yates, C. Massobrio, A. Pasquarello
Journal of Physical Chemistry C 115, (2011), 7755–7759 doi:10.1021/jp201345e

4. PDF Magnetic response of single-walled carbon nanotubes induced by an external magnetic field.

M. Kibalchenko, M.C. Payne, J.R. Yates
ACS Nano Vol. 5, No. 1 (2011), 537–545 doi:10.1021/nn102590b


3. PDF Distinguishing hydrogen bonding networks in alpha-D-galactose using NMR experiments and first principles calculations.

M. Kibalchenko, D. Lee, L. Shao, M. C. Payne, J. J. Titman, J. R. Yates
Chemical Physics Letters 498 (2010) 270–276 doi:10.1016/j.cplett.2010.08.077

2. PDF Structural assignments of NMR chemical shifts in GexSe{1-x} glasses through first principles calculations for GeSe2, Ge4Se9, and GeSe crystals.

M. Kibalchenko, J. R. Yates, C. Massobrio, A. Pasquarello
Physical Review B (Rapid Communications) 82 (2010) 020202 doi:10.1103/PhysRevB.82.020202

1. PDF First principles investigation of the relation between structural and NMR parameters in vitreous GeO2.

M. Kibalchenko, J.R. Yates, A. Pasquarello
Journal of Physics: Condensed Matter 22 (2010) 145501 doi:10.1088/0953-8984/22/14/145501


I carried out research in the UK, Switzerland and currently in the US.


University of California Los Angeles (UCLA), USA

Research Scientist at the Mary S. Easton Center for Alzheimer's Research at UCLA.
Advisor: Prof D Teplow.

Cavendish Laboratory, University of Cambridge, UK

Post-doctoral Research Associate in the Theory of Condensed Matter Group, Cavendish Laboratory.
Advisor: Prof M C Payne FRS. University of Cambridge Logo

Swiss Federal Institute of Technology Lausanne (EPFL), Switzerland

Post-doctoral Researcher in the School of Basic Sciences, Institute of Theoretical Physics.
Advisor: Prof A Pasquarello. EPFL Logo

Cavendish Laboratory, University of Cambridge, UK

EPSRC Doctoral Prize Fellow in the Theory of Condensed Matter Group, Cavendish Laboratory.
Advisor: Prof M C Payne FRS. University of Cambridge Logo


I obtained degrees from London and Cambridge, UK.


Cavendish Laboratory, University of Cambridge, UK

PhD in Physics in the Theory of Condensed Matter Group, Cavendish Laboratory.
Thesis title: "Applications of first principles NMR calculations."
Prof M C Payne FRS as supervisor. University of Cambridge Logo

Imperial College London, UK

MSci in Physics with a Year in Europe, 1st class honours. Masters project was completed abroad at EPFL, Lausanne, Switzerland.
Thesis title: "Statistical study of the errors arising from plasma reconstruction." Imperial College London Logo


I am passionate about innovating in science and technology to solve important biological problems. I enjoy extreme sports and try to be active on a daily basis. I am also a huge fan of art. I have an art studio in Los Angeles, CA where in my spare time I like to paint.

mk531 @ cam.ac.uk