基本信息
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个人简介
She is an expert in atomistic simulations applied to materials and biological systems, and works at the interface of physics with chemistry, materials science and biology.
Before joining King's, Carla held an EPSRC Advanced Research Fellowship at the Cavendish Laboratory, University of Cambridge, and a College Research Fellowship at New Hall (now Murray Edwards College).
Research
We design 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, light or the binding of a ligand.
We use a number of simulation techniques, from classical and ab-initio (density functional theory) molecular dynamics to enhanced sampling methods, plus methodologies to deal with excited states. Systems we have studied range from grain boundaries, liquid metal surfaces, polymers and nanocrystals to sugars, polyphenols, photoactive proteins and neuroreceptors.
Current research projects include:
the elucidation of the activation mechanisms in ligand-gated ion channels;
the characterisation of fluorescent molecular rotors;
the exploration of polyphenols (e.g. green tea catechins) and their interactions with proteins and DNA;
the growth of ice crystals;
the investigation of pressure-induced structural phase-transformations in nanomaterials
Before joining King's, Carla held an EPSRC Advanced Research Fellowship at the Cavendish Laboratory, University of Cambridge, and a College Research Fellowship at New Hall (now Murray Edwards College).
Research
We design 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, light or the binding of a ligand.
We use a number of simulation techniques, from classical and ab-initio (density functional theory) molecular dynamics to enhanced sampling methods, plus methodologies to deal with excited states. Systems we have studied range from grain boundaries, liquid metal surfaces, polymers and nanocrystals to sugars, polyphenols, photoactive proteins and neuroreceptors.
Current research projects include:
the elucidation of the activation mechanisms in ligand-gated ion channels;
the characterisation of fluorescent molecular rotors;
the exploration of polyphenols (e.g. green tea catechins) and their interactions with proteins and DNA;
the growth of ice crystals;
the investigation of pressure-induced structural phase-transformations in nanomaterials
研究兴趣
论文共 98 篇作者统计合作学者相似作者
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International journal of molecular sciencesno. 21 (2021): 12072
FRONTIERS IN MOLECULAR BIOSCIENCES (2021)
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作者统计
#Papers: 98
#Citation: 2106
H-Index: 26
G-Index: 41
Sociability: 5
Diversity: 0
Activity: 1
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