Carla Molteni | |
|---|---|
| Born | February 1966 (age 56) |
| Nationality | Italian |
| Alma mater | University of Milan (PhD) |
| Scientific career | |
| Fields | Condensed matter physics |
| Institutions | King's College London University of Cambridge Max Planck Institute for Solid State Research |
| Website | kclpure |
Carla Molteni (born February 1966) is an Italian Professor of Physics at King's College London. She works on computer simulations of materials and biomolecules. [1] [2] [3]
Molteni studied physics at the University of Milan. [4] She remained there for her graduate studies. [4] She was originally interested in particle physics, but became more fascinated by material science as she became aware of its impact in designing materials of the future. [5]
Molteni joined Max Planck Institute for Solid State Research [ when? ] as a postdoctoral research fellow, working on crystalline glucose. [6] She used the Car–Parrinello molecular dynamics method to study glucose. [7]
Molteni joined the University of Cambridge in 1999 as an Engineering and Physical Sciences Research Council (EPSRC) Advanced Research Fellow. [4] [8] She was a fellow at New Hall, (now Murray Edwards College) [9] Cambridge.
In 2003 Molteni was appointed a professor of soft matter physics at King's College London. [5] Molteni is a member of the Thomas Young Centre and London Centre for Nanotechnology. [10] She uses density functional theory and classical methods to understand systems such as grain boundaries, liquid crystals, polymers and proteins. [10] She studied polyamorphism in nanocrystals of silicon. [11] Her group have used computational methods to evaluate the interactions of green tea with cardiac muscle and the growth of hexagonal ice. [12] [13] They identified the excited states of biological chromophores using many-body perturbation theory. [14] [3] She studied the pressure-induced deformations of nanomaterials and how this impacted their optoelectronic properties. [15] Understanding piezochromic effects is important to determine the potential of a material for applications such as stress sensors. [15]
In 2018 she awarded the Italy Made Me prizes for young Italian researchers in the UK. [16] She serves on the board of directors of the Association of Italian Scientists in the UK. [17] She has taken part in Pint of Science. [18]
Polyamorphism is the ability of a substance to exist in several different amorphous modifications. It is analogous to the polymorphism of crystalline materials. Many amorphous substances can exist with different amorphous characteristics. However, polyamorphism requires two distinct amorphous states with a clear, discontinuous (first-order) phase transition between them. When such a transition occurs between two stable liquid states, a polyamorphic transition may also be referred to as a liquid–liquid phase transition.
Car–Parrinello molecular dynamics or CPMD refers to either a method used in molecular dynamics or the computational chemistry software package used to implement this method.
The Berendsen thermostat is an algorithm to re-scale the velocities of particles in molecular dynamics simulations to control the simulation temperature.
Quantum biology is the study of applications of quantum mechanics and theoretical chemistry to aspects of biology that cannot be accurately described by the classical laws of physics. An understanding of fundamental quantum interactions is important because they determine the properties of the next level of organization in biological systems.
CP2K is a freely available (GPL) quantum chemistry and solid state physics program package, written in Fortran 2008, to perform atomistic simulations of solid state, liquid, molecular, periodic, material, crystal, and biological systems. It provides a general framework for different methods: density functional theory (DFT) using a mixed Gaussian and plane waves approach (GPW) via LDA, GGA, MP2, or RPA levels of theory, classical pair and many-body potentials, semi-empirical and tight-binding Hamiltonians, as well as Quantum Mechanics/Molecular Mechanics (QM/MM) hybrid schemes relying on the Gaussian Expansion of the Electrostatic Potential (GEEP). The Gaussian and Augmented Plane Waves method (GAPW) as an extension of the GPW method allows for all-electron calculations. CP2K can do simulations of molecular dynamics, metadynamics, Monte Carlo, Ehrenfest dynamics, vibrational analysis, core level spectroscopy, energy minimization, and transition state optimization using NEB or dimer method.
Metadynamics is a computer simulation method in computational physics, chemistry and biology. It is used to estimate the free energy and other state functions of a system, where ergodicity is hindered by the form of the system's energy landscape. It was first suggested by Alessandro Laio and Michele Parrinello in 2002 and is usually applied within molecular dynamics simulations. MTD closely resembles a number of recent methods such as adaptively biased molecular dynamics, adaptive reaction coordinate forces and local elevation umbrella sampling. More recently, both the original and well-tempered metadynamics were derived in the context of importance sampling and shown to be a special case of the adaptive biasing potential setting. MTD is related to the Wang–Landau sampling.
Philippe Guyot-Sionnest is a professor at the University of Chicago appointed jointly in the departments of physics and chemistry. He works in the field of colloidal semiconductors and metal nanocrystals.
Michele Parrinello is an Italian physicist particularly known for his work in molecular dynamics. Parrinello and Roberto Car were awarded the Dirac Medal and the Sidney Fernbach Award in 2009 for their continuing development of the Car–Parrinello method, first proposed in their seminal 1985 paper, "Unified Approach for Molecular Dynamics and Density-Functional Theory". They have continued to receive awards for this breakthrough, most recently the Dreyfus Prize in the Chemical Sciences and the 2020 Benjamin Franklin Medal in Chemistry.
The following timeline starts with the invention of the modern computer in the late interwar period.
In quantum computing, quantum supremacy or quantum advantage is the goal of demonstrating that a programmable quantum device can solve a problem that no classical computer can solve in any feasible amount of time. Conceptually, quantum supremacy involves both the engineering task of building a powerful quantum computer and the computational-complexity-theoretic task of finding a problem that can be solved by that quantum computer and has a superpolynomial speedup over the best known or possible classical algorithm for that task. The term was coined by John Preskill in 2012, but the concept of a quantum computational advantage, specifically for simulating quantum systems, dates back to Yuri Manin's (1980) and Richard Feynman's (1981) proposals of quantum computing. Examples of proposals to demonstrate quantum supremacy include the boson sampling proposal of Aaronson and Arkhipov, D-Wave's specialized frustrated cluster loop problems, and sampling the output of random quantum circuits.
Vicki Leigh Colvin is a Professor of Engineering and Molecular Pharmacology at Brown University. She is the Director of the Centre for Biomedical Engineering. Her work focuses on the synthesis and characterisation of nanomaterials. She is a Fellow of the American Association for the Advancement of Science and the American Institute for Medical and Biological Engineering.
Helen H. Fielding is a Professor of physical chemistry at University College London (UCL). She focuses on ultrafast transient spectroscopy of protein chromophores and molecules. She was the first woman to win the Royal Society of Chemistry (RSC) Harrison-Meldola Memorial Prize (1996) and Marlow Award (2001).
Tiziana Di Matteo is a Professor of Econophysics at King's College London. She studies complex systems, such as financial markets, and complex materials. She serves on the council of the Complex Systems Society.
Delia J. Milliron is the T. Brockett Hudson Professor in Chemical Engineering at the University of Texas at Austin. Milliron leads a research team that focuses on developing and studying the properties of new electronic nanomaterials. Her team pursues studies on nanocrystals, nanoscale interfaces, and controlled assemblies of nanocrystals. Her team takes a systematic approach towards elucidating effects that arise at the nanoscale with a special focus on structure-property relationships.
Ursula Röthlisberger is a professor of computational chemistry at École Polytechnique Fédérale de Lausanne. She works on density functional theory using mixed quantum mechanical/molecular mechanical methods. She is an associate editor of the American Chemical Society Journal of Chemical Theory and Computation and a fellow of the American Association for the Advancement of Science.
Uri Banin is an Israeli chemist and a professor at the Hebrew University of Jerusalem, currently holding the Alfred & Erica Larisch Memorial Chair at the Institute of Chemistry. He is recognized as one of the pioneers of nanoscience in Israel.
Raffaella Buonsanti (born 1981 in Matera, Italy) is an Italian chemist and material scientist. Her research is at the interface between materials chemistry and catalysis as she focuses on the synthesis of nanocrystals to drive various energy-related reactions, such as CO2 reduction. She is currently a tenure-track assistant professor at École Polytechnique Fédérale de Lausanne (EPFL) and director of the Laboratory of Nanochemistry for Energy located at EPFL's Valais campus.
Eran Rabani is an Israeli theoretical chemist. He is a Professor of Chemistry at the University of California, Berkeley, holding the Glenn T. Seaborg Chair in Physical Chemistry, and at the Tel Aviv University. Rabani serves as the director of The Sackler Center for Computational Molecular and Materials Science, and as a faculty scientist at the Lawrence Berkeley National Laboratory.
Christine A. Muschik is an assistant professor in the Department of Physics and Astronomy at the University of Waterloo as well as a part of the Institute for Quantum Computing.. She completed her PhD in 2011 at the Max-Planck-Institute for Quantum Optics. She completed postdoctoral fellowships at the Institute for Quantum Optics and Quantum Information in Innsbruck and the Institute of Photonic Sciences in Castelldefels. As of 2020, she has over 2000 citations on over 50 publications. She has also been featured in several articles in Nature magazine, MIT Technology Review, and Physics World.
Silvia Vignolini is an Italian physicist who is Professor of Chemistry and Bio-materials in the Yusuf Hamied Department of Chemistry at the University of Cambridge. Her research investigates natural photonics structures, the self-assembly of cellulose and light propagation through complex structures. She was awarded the KINGFA young investigator award by the American Chemical Society and the Gibson-Fawcett Award in 2018.
