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Chemistry

D-Index
59
Citations
29676
World Ranking
9975
National Ranking
717

Overview

Andreas Dreuw is affiliated with Heidelberg University in Germany. Their research work spans multiple areas primarily within materials science and chemistry, with significant contributions to subfields such as materials chemistry, atomic and molecular physics, optics, organic chemistry, electrical and electronic engineering, and physical and theoretical chemistry.

Their research touches on several main topics including:

  • Crystallization and Solubility Studies
  • X-ray Diffraction in Crystallography
  • Advanced Chemical Physics Studies
  • Spectroscopy and Quantum Chemical Studies
  • Molecular Junctions and Nanostructures
  • Photochemistry and Electron Transfer Studies
  • Organic Electronics and Photovoltaics

Frequent co-authors in Dreuw's publications include:

  • Frank Röminger
  • Uwe H. F. Bunz
  • Marvin Hoffmann
  • Jan Freudenberg
  • A. Stephen K. Hashmi

The main venues where Dreuw has published include:

  • The Cambridge Structural Database
  • Chemistry - A European Journal
  • The Journal of Chemical Physics
  • Angewandte Chemie International Edition
  • Angewandte Chemie

Recent papers by Andreas Dreuw include:

  • Interatomic and Intermolecular Coulombic Decay, 2020, Chemical Reviews
  • adcc: A versatile toolkit for rapid development of algebraic-diagrammatic construction methods, 2020, Wiley Interdisciplinary Reviews Computational Molecular Science
  • XABOOM: An X-ray Absorption Benchmark of Organic Molecules Based on Carbon, Nitrogen, and Oxygen 1s → π* Transitions, 2021, Journal of Chemical Theory and Computation
  • Tailoring the Properties of Optical Force Probes for Polymer Mechanochemistry, 2021, Chemistry - A European Journal
  • Quinoidal Azaacenes: 99% Diradical Character, 2020, Angewandte Chemie International Edition

Best Publications

  • Advances in molecular quantum chemistry contained in the Q-Chem 4 program package

    Yihan Shao;Zhengting Gan;Evgeny Epifanovsky;Andrew T. B. Gilbert

  • Advances in methods and algorithms in a modern quantum chemistry program package

    Yihan Shao;Laszlo Fusti Molnar;Yousung Jung;Jörg Kussmann

  • Single-reference ab initio methods for the calculation of excited states of large molecules.

    Andreas Dreuw;Martin Head-Gordon

  • Failure of time-dependent density functional theory for long-range charge-transfer excited states: the zincbacteriochlorin-bacteriochlorin and bacteriochlorophyll-spheroidene complexes.

    and Andreas Dreuw;Martin Head-Gordon‡

  • Long-range charge-transfer excited states in time-dependent density functional theory require non-local exchange

    Andreas Dreuw;Jennifer L. Weisman;Martin Head-Gordon

  • Software for the frontiers of quantum chemistry: An overview of developments in the Q-Chem 5 package

    Evgeny Epifanovsky;Andrew T.B. Gilbert;Andrew T.B. Gilbert;Xintian Feng;Xintian Feng;Joonho Lee

  • OpenMolcas : From Source Code to Insight

    Ignacio Fernández Galván;Morgane Vacher;Ali Alavi;Celestino Angeli

  • The algebraic diagrammatic construction scheme for the polarization propagator for the calculation of excited states

    Andreas Dreuw;Michael Wormit

  • New tools for the systematic analysis and visualization of electronic excitations. I. Formalism.

    Felix Plasser;Michael Wormit;Andreas Dreuw

  • Simulating X-ray Spectroscopies and Calculating Core-Excited States of Molecules

    Patrick Norman;Andreas Dreuw

  • How much double excitation character do the lowest excited states of linear polyenes have

    Jan Hendrik Starcke;Michael Wormit;Jochen Schirmer;Andreas Dreuw

  • Multiply charged anions in the gas phase.

    Andreas Dreuw;Lorenz S. Cederbaum

  • New tools for the systematic analysis and visualization of electronic excitations. II. Applications

    Felix Plasser;Stefanie A. Bäppler;Michael Wormit;Andreas Dreuw

  • The third-order algebraic diagrammatic construction method (ADC(3)) for the polarization propagator for closed-shell molecules: Efficient implementation and benchmarkinga)

    Philipp H. P. Harbach;Michael Wormit;Andreas Dreuw

  • Calculating core-level excitations and X-ray absorption spectra of medium-sized closed-shell molecules with the algebraic-diagrammatic construction scheme for the polarization propagator.

    Jan Wenzel;Michael Wormit;Andreas Dreuw

  • Advances in Quantum Mechanochemistry: Electronic Structure Methods and Force Analysis

    Tim Stauch;Andreas Dreuw

  • Investigating excited electronic states using the algebraic diagrammatic construction (ADC) approach of the polarisation propagator

    Michael Wormit;Dirk R. Rehn;Philipp H.P. Harbach;Jan Wenzel

  • Exciton analysis of many-body wave functions: Bridging the gap between the quasiparticle and molecular orbital pictures

    Stefanie A. Bäppler;Felix Plasser;Michael Wormit;Andreas Dreuw

  • New implementation of high-level correlated methods using a general block tensor library for high-performance electronic structure calculations.

    Evgeny Epifanovsky;Evgeny Epifanovsky;Michael Wormit;Michael Wormit;Tomasz Kuś;Arie Landau

  • Benchmarking Excited-State Calculations Using Exciton Properties

    Stefanie A. Mewes;Stefanie A. Mewes;Felix Plasser;Anna Krylov;Andreas Dreuw

  • Charge-Transfer State as a Possible Signature of a Zeaxanthin-Chlorophyll Dimer in the Non-photochemical Quenching Process in Green Plants

    Andreas Dreuw;Graham R. Fleming;Martin Head-Gordon

  • A parallel implementation of the analytic nuclear gradient for time-dependent density functional theory within the Tamm–Dancoff approximation

    Fenglai Liu;Zhengting Gan;Yihan Shao;Chao-Ping Hsu

  • The third-order algebraic diagrammatic construction method (ADC(3)) for the polarization propagator for closed-shell molecules

    Philipp H. P. Harbach;Michael Wormit;Andreas Dreuw

Frequent Co-Authors

Uwe H. F. Bunz
Uwe H. F. Bunz Heidelberg University
Frank Rominger
Frank Rominger Heidelberg University
Josef Wachtveitl
Josef Wachtveitl Goethe University Frankfurt
Martin Head-Gordon
Martin Head-Gordon University of California, Berkeley
Lorenz S. Cederbaum
Lorenz S. Cederbaum Heidelberg University
Felix Plasser
Felix Plasser Loughborough University
A. Stephen K. Hashmi
A. Stephen K. Hashmi Heidelberg University
Todd J. Martínez
Todd J. Martínez Stanford University
Matthias Rudolph
Matthias Rudolph Heidelberg University
Tomasz Adam Wesolowski
Tomasz Adam Wesolowski University of Geneva

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