D-Index & Metrics Best Publications
Chemistry
Switzerland
2023

D-Index & Metrics D-index (Discipline H-index) only includes papers and citation values for an examined discipline in contrast to General H-index which accounts for publications across all disciplines.

Discipline name D-index D-index (Discipline H-index) only includes papers and citation values for an examined discipline in contrast to General H-index which accounts for publications across all disciplines. Citations Publications World Ranking National Ranking
Chemistry D-index 80 Citations 26,358 342 World Ranking 1982 National Ranking 50

Research.com Recognitions

Awards & Achievements

2023 - Research.com Chemistry in Switzerland Leader Award

2018 - Fellow of the American Association for the Advancement of Science (AAAS)

Overview

What is she best known for?

The fields of study she is best known for:

  • Quantum mechanics
  • Enzyme
  • Organic chemistry

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 most cited work include:

  • Dye-sensitized solar cells with 13% efficiency achieved through the molecular engineering of porphyrin sensitizers (3048 citations)
  • Entropic stabilization of mixed A-cation ABX3 metal halide perovskites for high performance perovskite solar cells (638 citations)
  • A Hamiltonian electrostatic coupling scheme for hybrid Car-Parrinello molecular dynamics simulations (456 citations)

What are the main themes of her work throughout her whole career to date?

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.

She most often published in these fields:

  • Molecular dynamics (27.58%)
  • Density functional theory (18.66%)
  • Stereochemistry (17.27%)

What were the highlights of her more recent work (between 2015-2021)?

  • Perovskite (5.01%)
  • Molecular dynamics (27.58%)
  • Chemical physics (15.04%)

In recent papers she was focusing on the following fields of study:

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.

Between 2015 and 2021, her most popular works were:

  • Entropic stabilization of mixed A-cation ABX3 metal halide perovskites for high performance perovskite solar cells (638 citations)
  • Ionic polarization-induced current-voltage hysteresis in CH3NH3PbX3 perovskite solar cells (374 citations)
  • Origin of unusual bandgap shift and dual emission in organic-inorganic lead halide perovskites (155 citations)

In her most recent research, the most cited papers focused on:

  • Quantum mechanics
  • Enzyme
  • Organic chemistry

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.

This overview was generated by a machine learning system which analysed the scientist’s body of work. If you have any feedback, you can contact us here.

Best Publications

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)

4475 Citations

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)

1341 Citations

A Hamiltonian electrostatic coupling scheme for hybrid Car-Parrinello molecular dynamics simulations

Alessandro Laio;Joost VandeVondele;Ursula Rothlisberger.
Journal of Chemical Physics (2002)

743 Citations

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)

628 Citations

Ionic polarization-induced current-voltage hysteresis in CH3NH3PbX3 perovskite solar cells

Simone Meloni;Thomas Moehl;Wolfgang Tress;Marius Franckevičius.
Nature Communications (2016)

620 Citations

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)

445 Citations

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)

430 Citations

Trajectory Surface Hopping within Linear Response Time-Dependent Density-Functional Theory

Enrico Tapavicza;Ivano Tavernelli;Ursula Rothlisberger.
Physical Review Letters (2007)

408 Citations

Structure of nanoscale silicon clusters.

Ursula Röthlisberger;Wanda Andreoni;Michele Parrinello.
Physical Review Letters (1994)

363 Citations

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)

342 Citations

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