Publikationen von Mariana Rossi

Rossi, M.: Structure and Dynamics of Weakly Bonded Systems. TYC Discussion Meeting: Quantum Chemistry Techniques, Thomas Young Centre (TYC), London, UK (2019)

Rossi, M.: Addressing the Nuclear and Electronic Structure of Weakly Bonded Interfaces. CMS 2019, 6th Computational Molecular Science Meeting, Warwick, UK (2019)

Rossi, M.: Nuclear Quantum Effects in Weakly Bonded Systems. Seminar, Department of Chemistry, University of Warwick, Coventry, UK (2019)

Rossi, M.: Critical Interplay of Atomic Structure and Level Alignment in Organic/Inorganic Interfaces. ASOMEA - IX, 9th Workshop on Advanced Spectroscopy of Organic Materials for Electronic Applications, Schluchsee, Germany (2018)

Rossi, M.: Addressing the Structure and Dynamics of Organic Molecules at Inorganic Interfaces. FHI-JST Joint Symposium, Current Topics and Challenges for Innovative Catalysts, Berlin, Germany (2018)

Rossi, M.: Addressing the Structure and Dynamics of Weakly Bonded, Flexible Systems. COMDI 2018, International Workshop on Computational Design and Discovery of Novel Materials, Lausanne, Switzerland (2018)

Rossi, M.: Path Integral Based Approximations to Quantum Dynamics for High Dimensional Systems. High Dimensional Quantum Dynamics (HDQD) Workshop, Lille, France (2018)

Rossi, M.: Quantum Electrons and Nuclei in Atomistic Simulations of Organic (and Inorganic) Systems. Seminar, Theoretische Chemie, Georg-August-Universität Göttingen, Göttingen, Germany (2018)

Rossi, M.: Ab Initio Molecular Dynamics in Weakly Bonded Systems. FHI-aims Developers' and Users' Meeting, Electronic Structure Theory with Numeric Atom-Centered Basis Functions, Munich, Germany (2018)

Rossi, M.: First Principles Approaches to the Structure and Dynamics of Hybrid Interfaces. Seminar, Max Planck Institute for the Structure and Dynamics of Matter, Hamburg, Germany (2018)

Rossi, M.: First Principles Approaches to the Structure and Dynamics of Hybrid Interfaces. Seminar, Department of Physics and Atmospheric Science, Dalhousie University, Halifax, NS, Canada (2018)

Rossi, M.: Towards an Accurate, High-Throughput Framework for the Prediction of Anharmonic Free Energies in Molecular Crystals. BiGmax Workshop 2018 on Big-Data-Driven Materials Science, Kloster Irsee, Irsee, Germany (2018)

Rossi, M.: First Principles Approaches to the Structure and Dynamics of Bio-Organic Interfaces. FHI Theory Symposium, Fritz Haber Institute, Berlin, Germany (2018)

Rossi, M.: Anharmonic and Quantum Effects in (Bio)organic Systems With First-Principles Accuracy. Total Energy and Force Methods 2018 Workshop, Selwyn College, Cambridge, MA, USA (2018)

Rossi, M.: Ab-Initio Simulations of Hydrogen-Bonded Systems. IMPRS Fall Block Course 2017, New Concepts in Experimental and Theoretical Surface Science, Berlin, Germany (2017)

Rossi, M.: Ab Initio Molecular Dynamics. Hands-on Workshop Density-Functional Theory and Beyond: Accuracy, Efficiency and Reproducibility in Computational Materials Science, Berlin, Germany (2017)

Rossi, M.: Ab Initio (Path Integral) Molecular Dynamics for H-Bonded Systems: Interplay with Anharmonicities. Workshop on Understanding Quantum Phenomena with Path Integrals: From Chemical Systems to Quantum fluids and Solids, Trieste, Italy (2017)

Rossi, M.: Colored Noise Thermostats for Path Integral Approximations to Dynamical Observables. CECAM Workshop, Practical problems with dynamical nuclear quantum effects through semi-classical methods, Paris, France (2017)

Rossi, M.: Evaluating Anharmonic and Nuclear Quantum Effects in Bio-Organic Systems. Seminar, Physics and Materials Science Research Unit, University of Luxembourg, Esch-sur-Alzette, Luxembourg (2017)

Rossi, M.: Ab Initio (Path Integral) Molecular Dynamics for H-Bonded Systems: Dynamical Properties. Summer School Solvation Science, Bochum, Germany (2017)