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Upcoming
- ACS Fall in Chicago, USA (2022-08-xx)
2022
- Faculty Seminar in Reutlingen, GER (2022-11-30)
Invited Talk on “Future of Simulation in Industry: Physics or data-driven approaches”
- Lions Club in Walldorf, GER (2022-11-22)
Invited Talk on “Digitale Chemie & Quantenphysik: Jenseits des Vorstellbaren”
- Leopoldina in Halle, GER (2022-10-18)
Invited Talk on “Quantum Chemical Molecular Representations for Machine Learning“
- Ab Initio Modelling in Solid State Chemistry in London, UK (2021-09-22)
Talk on “Van der Waals corrections in the DFT framework”
- HGSmathcom in Speyer, GER (2022-09-05)
Invited Talk on “Future of Simulation in Industry: Physics or data-driven approaches”
- ACS Fall Meeting in Chicago, USA (2022-08-29)
Invited Talk on “Crystal Engineering via Digital Chemistry”
2021
- Pacifichem in Honolulu Hawaii, USA (2021-12-15)
Talk on “Designing molecular materials: Academic developments versus industrial needs”
Talk on “r2SCAN-D4: Dispersion corrected meta-generalized gradient approximation for general chemical applications”
- Lennard Jones Center Seminar, Cambridge, UK (2021-11-28)
Talk on “Balancing accuracy and efficiency of electronic structure simulations”
- Ab Initio Modelling in Solid State Chemistry in London, UK (2021-09-23)
Talk on “Van der Waals corrections in the DFT framework”
- CECAM Flagship workshop in Lausanne, CHE (2021-08-31)
Talk on “Non-Covalent Interactions in Large Molecules and Extended Materials”
- GDCh seminar in Bremen, Germany (2021-06-07)
Talk on “Theoretical chemistry revealing molecular interactions: Academic developments versus industrial needs”
- ACS Spring Meeting in Philadelphia, USA (2021-03-24)
Talk on “Designing molecular materials: Academic developments versus industrial needs”
2020
2019
- Rational Solid Form Design Summit in Boston, USA (2019-10-21)
- Ab Initio Modelling in Solid State Chemistry in London, UK (2019-09-19)
Talk on “Van der Waals corrections in the DFT framework” [pdf]
- Theory of Condensed Matter Seminar, Cambridge University, UK (2019-09-16)
Talk on “Towards the design of molecular materials” [pdf]
- European Crystallographic Meeting, Vienna, Austria (2019-08-22)
Talk on “Towards the design of molecular materials” [pdf]
- Molecular Quantum Mechanics in Heidelberg, Germany (2019-06-01)
Poster on “Physisorption of Water on Graphene: Subchemical Accuracy from Many-Body
Electronic Structure Methods” [pdf]
- Seminar at the Max Planck Institute for Polymer Research, Mainz, Germany (2019-03-19)
Talk on “Towards the design of molecular materials: Improved quantum mechanical methods for structure and stability prediction” [pdf]
- NanoSolveIT Meeting in Athens, Greece (2019-02-28)
- MARVEL Mini Series, École Polytechnique Fédérale de Lausanne, Switzerland (2019-01-24)
Invited talk on “Towards the design of molecular materials” [pdf]
- Seminar at the Chemistry Department, University of Zurich, Switzerland (2019-01-18)
Talk on “Physisorption of Water on Graphene: Subchemical Accuracy from Many-Body Electronic Structure Methods” [pdf]
2018
- Campus-Talk – Forschung auf den Punkt gebracht – ARD-alpha, Volksbühne Berlin, Germany (2018-09-25)
Talk on “Vom Gecko bis zur Aspirintablette: Grundlagenforschung entwickelt industriell relevante Methoden” [podcast]
- 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
