Conferences

Upcoming

2018

  • Ab Initio Modeling in Solid State Chemistry at Imperial College in London, UK (2018-09-20)
    Lecture on “Van der Waals interactions in the DFT framework” [pdf]
  • Symposium on Theoretical Chemistry: Non-Covalent Interactions in Halle, Germany (2018-09-18)
    Poster on “On the physisorption of water on graphene: Sub-chemical accuracy from
    many-body electronic structure methods” [pdf]
  • Faraday discussion: Methods and applications of crystal structure prediction in Cambridge, UK (2018-07-11)
    Invited talk on “Crystal structure prediction of flexible pharmaceutical-like molecules: Density functional tight-binding as an intermediate optimization method and for free energy estimation” [pdf]
  • Properties of water at molecular scale workshop at National Graphene Institute, Manchester, UK (2018-07-03)
    Invited talk on “Benchmarking the interaction strength between water and graphene” [pdf]
  • Seminar on Special Problems in Quantum Chemistry at Mulliken Center for Theoretical Chemistry in Bonn, Germany (2018-06-08)
    Talk on “Excitation vs. projection techniques: Towards sub-chemical accuracy for large noncovalent systems” [pdf]
  • Theoretical Chemical Physics Workshop in Engelberg, Switzerland (2018-05-10)
    Invited talk on “Many-body electronic structure methods: Sub-chemical accuracy for noncovalent interactions of large systems?” [pdf]
  • EPS Condensed Matter Division and German Physical Society (CMD/DPG) Spring Meeting in Berlin, Germany (2018-03-11)
    Invited talk on “Control and prediction of molecular crystal properties by multilevel strategies” [pdf]
  • Thomas Young Center Colloquium in London, UK (2018-03-09)
    Talk on “Crystal structure prediction of pharmaceutical-like molecules: Fast optimization methods and high-level energies” [pdf]
  • Berufungsverfahren 530, Technical University Darmstadt, Germany (2018-02-26)
    Talk on “Control and prediction of molecular & crystal properties by multilevel strategies” [pdf]

2017

  • Seminar at the Theoretical Chemistry Group, University of Turino, Italy (2017-11-23)
    Talk on “Many-body electronic structure theory: Is Quantum Monte-Carlo affordable for molecular crystals?” [pdf]
  • SFB on N-heterocycles as functional materials at Heidelberg University, Germany (2017-11-10)
    Talk on “Predicting properties of molecular crystals by multilevel strategies” [pdf]
  • Alexander von Humboldt foundation network meeting in Bielefeld, Germany (2017-10-19)
    Talk on “Highly accurate stability prediction at surprisingly modest cost: Capabilities of quantum Monte-Carlo for molecular crystals” [pdf]
  • Ab Initio Modeling in Solid State Chemistry at Imperial College in London, UK (2017-09-21)
    Talk on “Dispersion-corrected mean-field electronic structure methods” [pdf]
  • Congress of the World Association of Theoretical and Computational Chemists at University of Munich (LMU) in Munich, GER (2017-08-30)
    Poster on “Thermal properties of organic solids from the quasi-harmonic approximation”
  • Symposium on Theoretical Chemistry: Big data in Chemistry in Basel, Switzerland (2017-08-23)
    Talk on “Fast and accurate quantum Monte Carlo for molecular crystals”
  • Seminar at the Fritz-Haber-Institute of the Max-Planck Society in Berlin, Germany (2017-06-01)
    Talk on “Molecular crystal polymorph prediction via multilevel strategies” [pdf]
  • Seminar at the Physical Chemistry Institute of the University of Göttingen in Göttingen, Germany (2017-05-30)
    Talk on “Molecular crystal polymorph prediction via multilevel strategies” [pdf]
  • Alexander von Humboldt foundation network meeting in Dresden, Germany (2017-04-06)
    Talk on “Towards a New Paradigm in Molecular Crystal Polymorph Prediction” [pdf]
  • International Sanibel Symposium on St. Simons Island, Georgia, USA (2017-02-22)
    Invited plenary talk on “Density functional theory including van der Waals forces” [pdf]
  • Seminar at the STFC Rutherford Appleton Laboratory in Harwell Oxford, UK (2017-01-23)
    Talk on “Thermal properties of organic solids from the quasi-harmonic approximation” [pdf]

2016

  • Administrative Council of the University Society Bonn in Bonn, Germany (2016-12-08)
    Talk on “Vom Gecko bis zur Aspirintablette: Weiterentwicklung von Elektronenstrukturmethoden zur effizienten Modellierung” [pdf]
  • Seminar at the Theoretical Chemistry Group, University of Turino, Italy (2016-11-29)
    Talk on “Implementation of density functional approximations of screened exchange hybrid and tight-binding types evaluated in local atomic orbitals within the CRYSTAL14 program” [pdf]
  • Seminar at the MPI for Solid State Research in Stuttgart, Germany (2016-11-15)
    Talk on “Development and application of ’low-cost’ dispersion corrected density functional methods” [pdf]
  • Seminar at the Centre for Condensed Matter and Materials Physics, Queen Mary University London, UK (2016-10-11)
    Talk on “Organic crystal modeling: On the importance of accurate London dispersion interactions” [pdf]
  • Symposium on Theoretical Chemistry in Bochum, Germany (2016-09-26)
    Contributed talk on “A new screened exchange hybrid functional: Accurate and efficient structures and interaction energies” [pdf]
  • Ab Initio Modeling in Solid State Chemistry at Imperial College in London, UK (2016-09-22)
    Talk on “Dispersion-corrected mean-field electronic structure methods” [pdf]
  • Future of Chemical Physics in Oxford, UK (2016-08-31)
    Poster on “Screened exchange hybrid density functional for accurate and efficient structures and interaction energies” [pdf]
  • Meeting of the European Crystallographic Association in Basel, Switzerland (2016-08-28)
    Contributed talk in Symposium “Crystal energy landscapes: computation and uses” [pdf]
  • Thomas Young Center Colloquium in London, UK (2016-04-15)
    Invited talk on “Organic crystal modeling: A hierarchy of quantum chemical methods” [pdf]
  • Alexander von Humboldt foundation network meeting in Düsseldorf, Germany (2016-02-29)
    Poster on “Molecular crystal polymorph prediction via multilevel strategies”

2015

  • International Chemical Congress of Pacific Basin Societies in Honolulu, Hawaii, USA (2015-12-17)
    Contributed talk on “Cost Effective Quantum Chemical Methods for Crystal Modeling”
  • Workshop on Crystal Structure Prediction in Cambridge, UK (2015-10-27)
    Invited talk on “The 6th blind test of organic crystal structure prediction: Bridging the gap from FF to DFT”
  • Symposium on Theoretical Chemistry in Potsdam, Germany (2015-09-21)
    Poster on “Molecular crystal polymorph prediction via multilevel strategies”
  • International Conference on Density Functional Theory in Debrecen, Hungary (2015-09-02)
    Contributed talk on “Consistent structures and interactions by density functional theory with small basis sets”
  • International School on Ab initio Modelling of Solids in Regensburg, Germany (2015-07-20)
    Invited talk on “Dispersion-corrected mean-field electronic structure methods”
  • GDCh: introduces young researcher in Bonn, Germany (2015-07-14)
    Invited talk on “Electronic structure methods for organic crystals”
  • Computational Molecular Science in Warwick, England (2015-03-16)
    Poster on “Quantum Chemical Methods for Organic Solids”

2014

  • Theoretical Chemistry Colloquia in Bochum, Germany (2014-12-17)
    Invited talk on “Low-Cost Quantum Chemical Methods for Noncovalent Interactions”
  • Symposium on Theoretical Chemistry in Vienna, Austria (2014-09-16)
    Poster on “Semiempirical Methods for Organic Crystal Modeling”
  • International Conference on Computational and Mathematical Methods in Science and Engineering in Cádiz, Spain (2014-07-03)
    Invited talk on “Electronic Structure Modeling of Organic Molecular Crystals”
  • IFF Spring School: Computational Materials Physics in Jülich, Germany (2014-03-10)

2013

  • Symposium on Weak Molecular Interactions in Pécs,  Hungary (2013-03-05)
    Poster: A Geometrical Correction for the Inter- and Intramolecular Basis Set Superposition Error in Periodic DFT Calculations
  • European Summerschool in Quantum Chemistry in Palermo, Italy (2013-09-15)
    Poster: Dispersion Corrected DFT and HF for Organic Crystal Structure Prediction