No photo of Carla Molteni
  • Phone82170
  • WC2R 2LS

    United Kingdom

  • 2256

Personal profile

Research interests

Quantum mechanical modelling of nanomaterials and biomolecules. I am a theoretical condensed matter physicist: my research activity consists in designing computer experiments to elucidate and predict complex processes in materials and biomolecules, by accurately calculating, with the aid of powerful computers, how atoms interact, rearrange and react to external stimuli, such as pressure and light. The precise understanding of the microscopic properties of matter, governed by the laws of quantum-mechanics, is of paramount importance in the emerging field of bio-nanotechnology, for the exploitation and design of innovative materials. In my simulations, to achieve the level of accuracy required to describe chemical bonds, I use density-functional-theory (DFT), a modern reformulation of quantum-mechanics, appropriate for large scale accurate calculations. Thanks to its favourable ratio between accuracy and computational cost, it is a successful technique for describing structural and electronic properties of systems of physical, chemical, materials science and even biological interest. Its importance has been recognized by the award of the 1998 Nobel Prize in Chemistry to its founder, Walter Kohn. I have pioneered some of the latest technical advances in the treatment of metals, excited states and high pressure conditions, pushing the frontiers of DFT calculations in new directions. DFT is an ab-initio method, which needs as input parameters only a statement of which atoms are involved in the system; it is therefore very versatile and can be applied to a wide range of materials, from polymers through semiconductors and metals to biological systems, all of which are represented in my research.

Research interests (short)

First principles and classical modelling of nanomaterials and biological systems

Expertise related to UN Sustainable Development Goals

In 2015, UN member states agreed to 17 global Sustainable Development Goals (SDGs) to end poverty, protect the planet and ensure prosperity for all. This person’s work contributes towards the following SDG(s):

  • SDG 3 - Good Health and Well-being
  • SDG 7 - Affordable and Clean Energy

Education/Academic qualification

Doctor of Philosophy, Tight-Binding Molecular Dynamics for III-V Compounds, University of Milan

Award Date: 1 Jan 1994

Master of Science, Calculation of Raman Scattering in Superlattices and Modulated Alloys of Ga1-x AlxAs, University of Milan

Award Date: 1 Jan 1990


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