2023 - Research.com Chemistry in Switzerland Leader Award
2018 - Fellow of the American Association for the Advancement of Science (AAAS)
Ursula Rothlisberger mainly investigates Density functional theory, Molecular dynamics, Excited state, Quantum mechanics and Chemical physics. Her Density functional theory research incorporates themes from Thermodynamics, Electronic structure, Potential energy, Atomic physics and London dispersion force. Her biological study spans a wide range of topics, including Crystallography, Biophysics, DNA, Chromophore and Rhodopsin.
Ursula Rothlisberger has researched Excited state in several fields, including Photochemistry, Excimer, Acetonitrile and Ground state. Ursula Rothlisberger conducts interdisciplinary study in the fields of Photochemistry and Dye-sensitized solar cell through her works. Her research integrates issues of Potential energy surface, Ab initio quantum chemistry methods, Perovskite, Mineralogy and Azurin in her study of Chemical physics.
Her primary areas of investigation include Molecular dynamics, Density functional theory, Stereochemistry, Chemical physics and Computational chemistry. Her research in Molecular dynamics intersects with topics in Crystallography, Quantum and Molecule. Her work deals with themes such as Excited state, Atomic physics and Electronic structure, which intersect with Density functional theory.
The concepts of her Stereochemistry study are interwoven with issues in Active site, Catalysis, Ruthenium, Protonation and Substrate. Her research investigates the connection between Chemical physics and topics such as Perovskite that intersect with issues in Iodide and Halide. Her Computational chemistry study integrates concerns from other disciplines, such as Molecular physics and Ab initio.
Her main research concerns Perovskite, Molecular dynamics, Chemical physics, Density functional theory and Formamidinium. The study incorporates disciplines such as Orthorhombic crystal system, Inorganic chemistry, Halide, Iodide and Phase in addition to Perovskite. Ursula Rothlisberger usually deals with Molecular dynamics and limits it to topics linked to Computational biology and Chromatin.
Her Chromatin research incorporates elements of Nanotechnology and Cell biology. Her Chemical physics research focuses on subjects like Band gap, which are linked to Valence. To a larger extent, she studies Quantum mechanics with the aim of understanding Density functional theory.
Her primary scientific interests are in Perovskite, Halide, Molecular dynamics, Formamidinium and Chemical physics. Her Perovskite research is multidisciplinary, incorporating elements of Inorganic chemistry and Orthorhombic crystal system. The Halide study combines topics in areas such as Crystallography, Solid solution and Valence.
She performs integrative study on Molecular dynamics and H channel in her works. Her studies in Chemical physics integrate themes in fields like Nanotechnology, Hysteresis, PDZ domain, Dissociation and Electron transfer. In RNA, she works on issues like Force field, which are connected to Density functional theory.
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Dye-sensitized solar cells with 13% efficiency achieved through the molecular engineering of porphyrin sensitizers
Simon Mathew;Aswani Yella;Peng Gao;Robin Humphry-Baker.
Nature Chemistry (2014)
Entropic stabilization of mixed A-cation ABX3 metal halide perovskites for high performance perovskite solar cells
Chenyi Yi;Jingshan Luo;Simone Meloni;Ariadni Boziki.
Energy and Environmental Science (2016)
A Hamiltonian electrostatic coupling scheme for hybrid Car-Parrinello molecular dynamics simulations
Alessandro Laio;Joost VandeVondele;Ursula Rothlisberger.
Journal of Chemical Physics (2002)
Optimization of Effective Atom Centered Potentials for London Dispersion Forces in Density Functional Theory
O. Anatole von Lilienfeld;Ivano Tavernelli;Ursula Rothlisberger;Daniel Sebastiani.
Physical Review Letters (2004)
Ionic polarization-induced current-voltage hysteresis in CH3NH3PbX3 perovskite solar cells
Simone Meloni;Thomas Moehl;Wolfgang Tress;Marius Franckevičius.
Nature Communications (2016)
New Paradigm in Molecular Engineering of Sensitizers for Solar Cell Applications
Takeru Bessho;Eiji Yoneda;Jun-Ho Yum;Matteo Guglielmi.
Journal of the American Chemical Society (2009)
Structural and electronic properties of sodium microclusters (n=2–20) at low and high temperatures: New insights from ab initio molecular dynamics studies
Ursula Röthlisberger;Wanda Andreoni.
Journal of Chemical Physics (1991)
Trajectory Surface Hopping within Linear Response Time-Dependent Density-Functional Theory
Enrico Tapavicza;Ivano Tavernelli;Ursula Rothlisberger.
Physical Review Letters (2007)
Structure of nanoscale silicon clusters.
Ursula Röthlisberger;Wanda Andreoni;Michele Parrinello.
Physical Review Letters (1994)
Mixed Quantum Mechanical/Molecular Mechanical Molecular Dynamics Simulations of Biological Systems in Ground and Electronically Excited States
Elizabeth Brunk;Elizabeth Brunk;Ursula Rothlisberger.
Chemical Reviews (2015)
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