Publications of Mariana Rossi

Talk (44)

2019
Talk
Rossi, Mariana: Elucidating Quantum Dynamics at Hybrid Interfaces.
(Seminar, The Institute for Solid State Physics, The University of Tokyo, Kashiwa, Japan, Dec 2019).
Talk
Rossi, Mariana: How Theory Can Elucidate Anharmonic Quantum Nuclear Fluctuations and Hydrogen Dynamics at Finite Temperatures.
(The 81st Okazaki Conference, Forefront of Measurement Technologies for Surface Chemistry and Physics in Real-Space, k-Space, and Real-Time, Okazaki, Japan, Dec 2019).
2018
Talk
Rossi, Mariana: 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, Apr 2018).
Talk
Rossi, Mariana: 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, Oct 2018).
Talk
Rossi, Mariana: 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, Jul 2018).
Talk
Rossi, Mariana: Addressing the Structure and Dynamics of Weakly Bonded, Flexible Systems.
(COMDI 2018, International Workshop on Computational Design and Discovery of Novel Materials, Lausanne, Switzerland, Sep 2018).
Talk
Rossi, Mariana: Addressing the Structure and Dynamics of Organic Molecules at Inorganic Interfaces.
(FHI-JST Joint Symposium, Current Topics and Challenges for Innovative Catalysts, Berlin, Germany, Oct 2018).
Talk
Rossi, Mariana: First Principles Approaches to the Structure and Dynamics of Bio-Organic Interfaces.
(FHI Theory Symposium, Fritz Haber Institute, Berlin, Germany, Apr 2018).
Talk
Rossi, Mariana: Anharmonic and Quantum Effects in (Bio)organic Systems With First-Principles Accuracy.
(Total Energy and Force Methods 2018 Workshop, Selwyn College, Cambridge, MA, USA, Jan 2018).
Talk
Rossi, Mariana: Path Integral Based Approximations to Quantum Dynamics for High Dimensional Systems.
(High Dimensional Quantum Dynamics (HDQD) Workshop, Lille, France, Aug 2018).
Talk
Rossi, Mariana: Quantum Electrons and Nuclei in Atomistic Simulations of Organic (and Inorganic) Systems.
(Seminar, Theoretische Chemie, Georg-August-Universität Göttingen, Göttingen, Germany, Aug 2018).
Talk
Rossi, Mariana: First Principles Approaches to the Structure and Dynamics of Hybrid Interfaces.
(Seminar, Max Planck Institute for the Structure and Dynamics of Matter, Hamburg, Germany, Jul 2018).
Talk
Rossi, Mariana: First Principles Approaches to the Structure and Dynamics of Hybrid Interfaces.
(Seminar, Department of Physics and Atmospheric Science, Dalhousie University, Halifax, NS, Canada, May 2018).
2017
Talk
Rossi, Mariana: 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, Jun 2017).
Talk
Rossi, Mariana: Ab Initio (Path Integral) Molecular Dynamics for H-Bonded Systems: Dynamical Properties.
(Summer School Solvation Science, Bochum, Germany, Jun 2017).
Talk
Rossi, Mariana: Anharmonic and Nuclear Quantum Effects in H-Bonded Systems from Ab Initio Methods.
(FHI-Workshop on Current Research Topics at the FHI, Potsdam, Germany, May 2017).
Talk
Rossi, Mariana: Evaluating Anharmonic and Nuclear Quantum Effects in Bio-Organic Systems.
(Seminar, Physics and Materials Science Research Unit, University of Luxembourg, Esch-sur-Alzette, Luxembourg, Jun 2017).
Talk
Rossi, Mariana: 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, Jul 2017).
Talk
Rossi, Mariana: Ab Initio Molecular Dynamics.
(Hands-on Workshop Density-Functional Theory and Beyond: Accuracy, Efficiency and Reproducibility in Computational Materials Science, Berlin, Germany, Jul 2017).
Talk
Rossi, Mariana: Ab-Initio Simulations of Hydrogen-Bonded Systems.
(IMPRS Fall Block Course 2017, New Concepts in Experimental and Theoretical Surface Science, Berlin, Germany, Sep 2017).
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