### In conferences

**Supercritical melts.**

**R. Caracas**

(8th ABINIT developers’ Workshop 2017, Frejus, France)**Supercritical multi-component silicate melts.**

**R. Caracas**

(MecMatPla School and Workshop 2017, Montgenevre, France)

**invited talk****Melts of the early Earth. An ab initio computational perspective.**

**R. Caracas**

(AGU Fall Meeting 2016, San Francisco, CA, USA)**Carbon polymerization in multi-component silicate melts at high pressure.**

**R. Caracas**

(2016 Extreme Physics and Chemistry Workshop, 2016, Stanford, USA)

**invited lecture****Minerals in the mantle and the core**

**R. Caracas**

(a series of lectures on Crystallography and Computational Mineral Physics, taught together with Daniele Antonangelli at the Doctoral Training School, 2016, Barcelotte, France)

**invited lecture****First-principles molecular dynamics**

**R. Caracas**

(CECAM school – Thermodynamic and ab initio modeling of natural fluids and melts, 2016, Lausanne, Switzerland)**Pyrolite during and in the aftermath of the Giant Impact**

**R. Caracas**

(European High Pressure Research Group EHPRG 2016, Bayreuth, Germany)**Carbon speciation in silicate melts**

**R. Caracas**

(European High Pressure Research Group EHPRG 2016, Bayreuth, Germany)

**invited talk****Magmas of the early Earth**

**R. Caracas**

(CIDER 2016 Summer Program “Flow in the deep Earth”, 2016, Santa Barbara, USA)

**invited talk****Density crossover in the magma ocean**

, R. Nomura, K. Hirose, and M. Ballmer**R. Caracas**

(Magma Oceanology Workshop, 2016, Atami, Japan)

**invited talk****Hydrogen mobility in transition zone silicates**

, and W. Panero**R. Caracas**

(JPGU 2016 Meeting, Chiba, Japan)

**invited talk****Crystallization of the magma ocean**

, R. Nomura, K. Hirose, and M. Ballmer**R. Caracas**

(AGU Fall Meeting 2015, San Francisco, CA, USA)

**invited talk****Refining the chemical composition of the inner core with multicomponent alloys: from first-principles to thermodynamics and seismology**

, A. Martin, and M. Torrent**R. Caracas**

(AGU Fall Meeting 2015, San Francisco, CA, USA)**Stable Isotope Evidence for Planetary Differentiation**

*A. Shahar*, W. Mao, E. Schauble,**R. Caracas**, M. Reagan, and A. Gleason

(AGU Fall Meeting 2015, San Francisco, CA, USA)

**invited talk****Structural and Chemical Flexibility of Hydrous Phases D and H**

*W. Panero*,**R. Caracas**, and J. Pigott

(AGU Fall Meeting 2015, San Francisco, CA, USA)**Ferroelectric ices at extreme conditions**

**R. Caracas**

(13th European Meeting on Ferroelectrics, 2015, Porto, Portugal)

**invited talk****Theoretical Raman spectra**

**R. Caracas**

(Inelastic light scattering in ferroic materials, pre-EMF workshop, 2015, Porto, Portugal)

**invited lecture****Magmas in the Earth**

and Alexandra C. Seclaman**R. Caracas**

(Atomistic simulations in Earth Sciences, CECAM workshop, 2015, Paris, France)

**invited talk****Magmas in the Earth**

and Alexandra C. Seclaman**R. Caracas**

(GeoNeutrinos 2015 Workshop, Paris, France)

**invited talk****ABINIT on Mars via WURM**

**R. Caracas**E. Bobocioiu, A. Ilie, and E. Vasile

(Abinit developers workshop 2015, Liege, Belgium )

**invited talk****Magmas in the Earth**

and Alexandra C. Seclaman**R. Caracas**

(Evoplanets Workshop, 2015, Santa Barbara, USA)

**invited talk****Making the Earth pie**

**R. Caracas**

(Evoplanets Program, 2015, Santa Barbara, USA)

**invited lecture****Advanced aspects of theoretical Raman spectra: anharmonicities, isotopes, examples, databases**

**R. Caracas**

(Raman WURM CNRS Thematical school, 2014, Lyon, France)

**lecture****Theoretical (ab initio) modeling of Raman spectra**

**R. Caracas**

(Raman WURM CNRS Thematical school, 2014, Lyon, France)

**lecture****Theoretical Raman spectra of carbonates**

, E. Bobocioiu, E. Vasile, and A. Ilie**R. Caracas**

(Deep Carbon Obsevatory Worskhop 2014, Los Angeles, USA)

**invited talk****Theoretical modeling of Raman spectra**

**R. Caracas**

(CarboRaman, CNRS Thematical school, 2014, Nouan-le-Fuzelier, France)

**invited lecture****Applications of the density-functional theory (DFT) in the study of interior of the Earth**

**R. Caracas**

(21st General Meeting of the International Mineralogical Association, IMA2014, Sandton, South Africa)

**invited medal lecture****Stability and spectroscopy of MgSO4 minerals under Martian conditions. Role of hydration on sulfur isotope partitioning**

and E. Bobocioiu**R. Caracas**

(21st General Meeting of the International Mineralogical Association, IMA2014, Sandton, South Africa)**The WURM project – a web-based freely available database of computed physical properties for minerals with a special focus on Raman**

and E. Bobocioiu**R. Caracas**

(21st General Meeting of the International Mineralogical Association, IMA2014, Sandton, South Africa)**Compressibility of carbonatite melts and glasses**

**R. Caracas**

(52nd European High Pressure Research Group International Meeting, EHPRG 2014, Lyon, France)**Tutorial on atomistic simulations**

**R. Caracas**

(pre-EHPRG14 school, Lyon, France)

**invited lecture****Non-linear properties and Raman response**

**R. Caracas**

(ABINIT CECAM school 2014, Lyon, France)

**lecture****Elastic and piezoelectric responses**

**R. Caracas**

(ABINIT CECAM school 2014, Lyon, France)

**lecture****Constraining the core composition from mineral physics**

**R. Caracas**

(Accrete Workshop, May 2014, Nice, France)**New insights into the behavior of water ices VII and VIII at extreme conditions**

and R. J. Hemley**R. Caracas**

(EGU 2014, Vienna, Austria)**Carbonatitic melts and glasses at high pressure**

**R. Caracas**

(11th International Workshop on WATER DYNAMICS, March 2014, Sendai, Japan)

**invited talk****Isotope partitioning between minerals of the Earth’s mantle from ab initio calculations**

and C. Jackymiw**R. Caracas**

(AGU Fall Meeting 2013, San Francisco, CA, USA)

**invited talk****First-principles simulations of carbonatites**

and R. E. Cohen**R. Caracas**

(Deep Carbon Observatory pre-AGU workshop, Dec. 2013, Stanford, CA, USA)**Fe-Si system: a potential major component of the Earth’s core**

**R. Caracas**

(Workshop on Transport Properties in the Earth’s Core, Oct. 2013, Kawaguchiko Lake, Japan)

**invited lecture****Mineral physics of the dynamic planets**

**R. Caracas**

(XIII International Workshop on Modeling of Mantle and Lithosphere Dynamics, Sept. 2013 Honefoss, Norway)

**invited lecture**-
**Fe-Si System: A Potential Major Component of the Earth’s Core**

**Caracas R,***Verstraete M, Fischer R & Campbell A*

(Goldschmidt 2013 Meeting, Florence, Italy) **Single Crystal Elasticity of the Na1.07Mg1.58Al4.91Si1.26O12 NAL Phase and Seismic Heterogeneity in the Deep Mantle**

*Pamato MG, Kurnosov A, Boffa Ballaran T, Trots DM,***Caracas R**& Frost DJ

(Goldschmidt 2013 Meeting, Florence, Italy)**Pressure-Induced Phase Transitions in Coesite**

*Cernok A, Boffa Ballaran T,***Caracas R**, Miyajima N, Bykova E, Prakapenka V, Liermann H-P & Dubrovinsky L

(Goldschmidt 2013 Meeting, Florence, Italy)**Carbonatitic glasses and melts**

**R. Caracas**and R. E. Cohen

(EGU 2013, Vienna, Austria)

PICO**From planetary surface spectroscopy to deep interiors in a numerical lab: atomistic ﬁrst-principles simulations**

**R. Caracas**

(EGU 2013, Vienna, Austria)-
**Applications of the Density Functional Theory in the study of the planetary interiors**

**R. Caracas**

(GDR ModMat 2013 General Meeting, Marseille, France) -
**The iron alloys of the Earth’s core**

**Razvan Caracas**, Matthieu J. Verstraete, Alejandra Vargas Calderon, Stephane Labrosse, John W. Hernlund, Hitoshi Gomi, Kenji Ohta, Kei Hirose

(AGU Fall Meeting 2012, San Francisco, CA, USA)

**invited talk** -
**Multimegabar compression of glasses of planetary materials**

**R. Caracas**

(AGU Fall Meeting 2012, San Francisco, CA, USA) -
**Silicate-metal reaction-induced snow atop the Earth’s core**

*John Hernlund, Stephane Labrosse, Christine T. Houser, Kei Hirose,***Razvan Caracas**

(AGU Fall Meeting 2012, San Francisco, CA, USA) -
**ABINIT applications: Raman spectrosopy, High pressure, Phase transition**

**R. Caracas**

(CECAM School on Dynamical properties with the ABINIT package, 2012, Zurich, Switzerland) -
**Non-linear response, including Raman**

**R. Caracas**

(CECAM School on Dynamical properties with the ABINIT package, 2012, Zurich, Switzerland) -
**Mechanical, elastic, piezoelectric properties**

**R. Caracas**

(CECAM School on Dynamical properties with the ABINIT package, 2012, Zurich, Switzerland) -
**The light elements of the Earth’s core**

**R. Caracas**

(GCOE Symposium 2012, Sendai, Japan)

**invited talk** **The iron alloys of the Earth’s core**

**R. Caracas**Matthieu J. Verstraete, Alejandra Vargas Calderon, Stephane Labrosse, John W. Hernlund, Hitoshi Gomi, Kenji Ohta, Kei Hirose

(2012 CIDER Summer School, Santa Barbara, CA, USA)**invited lecture**-
**The iron alloys of the Earth’s core**

**R. Caracas**Matthieu J. Verstraete, Alejandra Vargas Calderon, Stephane Labrosse, John W. Hernlund, Hitoshi Gomi, Kenji Ohta, Kei Hirose

(Compres 2012 and HPMPS-8 Meetings, Lake Tahoe, CA, USA) -
**Theoretical Raman spectra**

**R. Caracas**and E. Bobocioiu

(International school of RAMAN SPECTROSCOPY APPLIED TO EARTH SCIENCES AND CULTURAL HERITAGE, 2012, Nancy, France)

**invited lecture** -
**Density functional perturbation theory and applications in mineralogy**

(Postgraduate course – Investigating the Deep Earth: Observation, Experiments, and Models, 2012, Paris, France)

**invited lecture** -
**The iron alloys of the Earth’s core**

**R. Caracas**and M. Verstraete

(EGU 2012, Vienna, Austria) -
**Spin transition in Fe-bearing perovskite: experimental identification and implications for the lower mantle**

**R. Caracas**

(EGU 2012, Vienna, Austria) -
**The WURM project – a web-based freely available database of computed physical properties for minerals**

**R. Caracas**and E. Bobocioiu

(EMPG 2012, Kiel, Germany) -
**Spin transition in Fe-bearing perovskite: experimental identification and implications for the lower mantle**

**R. Caracas**

(EMPG 2012, Kiel, Germany) -
**Identification of the Spin Transition in Fe-bearing Perovskite and Implications for the Lower Mantle**

**R. Caracas**

(AGU 2011, San Francisco, USA) -
**Carbon-bearing silicate melts in the deep Earth**

*F. Gygi,*(AGU 2011, San Francisco, USA)**R. Caracas**and R.E. Cohen -
**Spin transition in Fe-bearing perovskite**

**R. Caracas**

(CECAM, Dynamical Properties of Earth and Planetary Materials, 2011, Lausanne, Switzerland) -
**The WURM project – a web-based freely available database of computed properties for minerals**

**R. Caracas**and E. Bobocioiu

(DMG, DKG and OMG joint meeting 2011, Salzburg, Austria) -
**Spin transition in Fe-bearing perovskite – implications for the lower mantle**

**R. Caracas**

(DMG, DKG and OMG joint meeting 2011, Salzburg, Austria) -
**Anomalies and phase transitions of dense ice**

**R. Caracas**and R.J. Hemley

(DMG, DKG and OMG joint meeting 2011, Salzburg, Austria) -
**The light elements of the Earth’s core**

**R. Caracas**

(PURE-III workshop, Paris, France)

**invited talk** -
**The WURM project – a web-based freely available database of computed physical porperties for minerals**

**R. Caracas**ad E. Bobocioiu

(ECMS – European Conference of Mineralogy and Spectroscopy, Potsdam, Germany) -
**Spin transition in Fe-bearing perovskite: implications for the lower mantle**

**R. Caracas**

(ECMS – European Conference of Mineralogy and Spectroscopy, Potsdam, Germany) -
**Exciting applications of DFT in the study of the deep Earth**

**R. Caracas**

(2011 GRD-DFT++ workshop, Obernai, France) -
**Carbon in the core**

**R. Caracas**

(Deep Carbon Observatory workshop 2011, Paris, France)

**invited talk** -
**The effect of Si alloying on the transport and elastic properties of iron**

**R. Caracas**

(RST 2010, Bordeaux, France) -
**The spin transition in Fe-bearing perovskite: does it matter?**

**R. Caracas**

(RST 2010, Bordeaux, France) -
**The spin transition in Fe-bearing perovskite**

**R. Caracas**, D. Mainprice, C. Thomas

(2010 CECAM Workshop on “Computational Mineral Physics: Applications in Geosciences”, Zurich, Switzerland)

**invited talk** -
**Mineral physics in the subduction zone**

**R. Caracas**, L. Bezacier, E. Bobocioiu, B. Reynard

(2010 CECAM Workshop on “Computational Mineral Physics: Aplications in Geosciences”, Zurich, Switzerland)

**invited talk** -
**Lattice dynamics and theoretical spectroscopy at high pressure**

**R. Caracas**

(psi-K Conference 2010, Berlin, Gemany)

**invited talk** -
**Lattice dynamics and spectroscopy at high pressure**

**R. Caracas**

(IMA 2010 Meeting, Budapest, Hungary) -
**Carbnonate melts in the Earth’s mantle**

R.E. Cohen, F. Gygi**R. Caracas**

(IMA 2010 Meeting, Budapest, Hungary) -
**Spin transition in Fe-bearing perovskite – Consequences for the lower mantle**

, D. Mainprice, C. Thomas**R. Caracas**

(IMA 2010 Meeting, Budapest, Hungary) -
**The WRUM project – a web-based freely available database of computed physical properties for minerals**

, E. Bobocioiu**R. Caracas**

(IMA 2010 Meeting, Budapest, Hungary) -
**Elastic and piezoelectric responses in ABINIT**

**R. Caracas**

(Linear and non-linear responses of solids with the ABINIT software : phonons, electric fields, and other perturbations, CECAM workshop, 2010, Lausanne, Switzerland) -
**The spin transition in Fe-bearing perovskite**

**R. Caracas**

(1st Global Network Symposium on Earth’s Dynamics, 2010, Akiu Sendai, Japan) -
**The effect of FeSi alloys on the seismology and transport properties of the lowermost mantle and the outer core**

**R. Caracas**

(AGU Fall Meeting, 2009, San Francisco, USA) -
**Unique Chemical Signatures Returned by Crystallization of a Basal Magma Ocean and Constraints upon the Thermal Evolution of the Early Earth**

*John Hernlund,***Razvan Caracas**, Michael Manga, Nicolas Coltice, Stephane J. Labrosse

(AGU Fall Meeting, 2009, San Francisco, USA) -
**Dynamical properties of materials at extreme conitions**

**R. Caracas**

(DyPrSo (=Dynamical Properties of Solids) XXXII, September 2009, Antwerp, Belgium)

**invited talk** -
**Dynamical properties of minerals at extreme conitions**

**R. Caracas**

(GeoItalia2009, September, 2009, Rimini, Italy)

**invited keynote lecture** -
**Spin transition in (Mg,Fe)SiO**_{3}perovskite

**R. Caracas**

(MAPT, Micro-Analysis, Processes, Time, Edinburgh, September, 2009) -
**Spin transitions in Fe-bearing MgSiO**_{3}in the Earth’s lower mantle

**R. Caracas**and Christine Thomas

(AGU Spring Meeting, 2009, Toronto, Canada) -
**Fe-Si alloys in the lowermost mantle and the outer core**

**R. Caracas**and Matthieu Verstraete

(AGU Spring Meeting, 2009, Toronto, Canada) -
**High-pressure study of water ices VII-VIII-X**

**R. Caracas**

(ABINIT Workshop 2009, Autrans, Franmce) -
**Thermodynamic Phase Relations in the MgO-FeO-SiO**_{2}System in the Lower Mantle

*A.S. Wolf,***R. Caracas**and P.D. Asimow

(AGU Fall Meeting, 2008, San Francisco, USA) -
**(Mg,Fe)SiO**_{3}in the lower mantle: phase equilibria and stability, influence of spin on compressibility and elasticity

**R. Caracas**, A.S. Wolf and P.D. Asimow

(AGU Fall Meeting, 2008, San Francisco, USA) -
**Melting at high pressures**

*R.E. Cohen, J. Vorberger, B. Militzer,***R. Caracas**and F. Gygi

(AGU Fall Meeting, 2008, San Francisco, USA) -
**Raman spectra of minerals from first-principles calculations**

**R. Caracas**

(Mineral spectroscopy by theory and experimenat, CECAM Workshop, 6-9 October, 2008, Lausanne, Switzerland)

**invited lecture** -
**(Mg,Fe)SiO**_{3}in the lower mantle: phase equilibria and stability, influence of spin on compressibility and elasticity

**R. Caracas**

(Transport Properties of the Lower Mantle Workshop, 21-24 October 2008, Yunishigawa-onsen, Japan) **Calculs ab initio**

**R. Caracas**

(Structure et dynamique du manteau profond, Les Houches Summer School, 12-17 October 2008, Les Houches, France)

**invited lecture****Molecular crystals under pressure**

**R. Caracas**

(Vlab Workshop, July 2008, Santa Barbara, CA, USA)

**invited lecture**-
**Ice X At High Pressure or What Are First-Principles (ab initio) Calculations Good At ?**

**R. Caracas**

(The Science of Solar System Ices Workshop, 5-8 May) 2008, Oxnard, CA, USA) **ABINIT studies on ferroelectrics and Earth and planetary materials**

**R. Caracas**

(ABINIT 2008 – International school on vibrational spectroscopies: a hands-on introduction to ABINIT, 2008, Queretaro, Mexico)

**invited lecture**-
**Non-linear effects and Raman spectra**

**R. Caracas**

(ABINIT 2008 – International school on vibrational spectroscopies: a hands-on introduction to ABINIT, 2008, Queretaro, Mexico)

**invited lecture** -
**Stability of H**_{2}O ice polymorphs at high pressure

**R. Caracas**

(AGU Fall Meeting, 2007, San Francisco, USA ) -
**(Mg,Fe,Al)(Si,Al)O**_{3}post-perovskite and the D” layer

**R. Caracas**

(Goldschmidt, 2007, Koeln, Germany) -
**Elastic tensors and Raman spectra of mantle minerals from density functional perturbation theory**

**R. Caracas**

(7^{th}High Pressure Mineral Physics Seminar, HPMPS 7, 2007, Matsushima, Miyagi, Japan)

**invited talk** -
**Theoretical precursors to polymeric nitrogen**

**R. Caracas**and R.J. Hemley

(2007 APS March Meeting, Denver, CO, USA) -
**Elastic and spectroscopic properties of Earth and planetary materials**

**R. Caracas**

(3rd International ABINIT Developer Workshop, 2007, Liege, Belgium) -
**Theoretical investigation of minerals in the D” layer**

**R. Caracas**and R.E. Cohen

(2006 GSA Northeastern Meeting, Harrisburg, PA)

**invited talk** -
**Computational study of the pressure behavior of post-perovskite phases**

**R. Caracas**and R.E. Cohen

(2006 APS March Meeting, Baltimore, March, 2006) -
**Effect of chemistry on the physical properties of perovskite and post-perovskite (Mg,Fe,Al)(Al,Si)O**_{3}

**R. Caracas**and R.E. Cohen

(2005 AGU Fall Meeting) -
**High-pressure elasticity of perovskite and post-perovskite (Mg,Fe,Al)(Al,Si)O**_{3}

**R. Caracas**and R.E. Cohen

(2005 AGU Fall Meeting)

**invited talk** -
**Stability and elasticity of the perovskite and post-perovskite phases and implications for the lower mantle**

**R. Caracas**and R.E. Cohen

(1^{st}Geological Society of America 2005 Annual Meeting) -
**First principles study of the MgSiO**_{3}-FeSiO_{3}-Al_{2}O_{3}system at high-pressure

**R. Caracas**and R.E. Cohen

(1^{st}VLab Workshop, Minneapolis, MN, July, 2005)

**invited talk** -
**Effects of chemistry on the properties and transformation of perovskite to the post-perovskite phases with implications for the lowermost mantle**

**R. Caracas**and R.E. Cohen

(AGU Spring Meeting, New Orleans, May, 2005) -
**Theoretical and experimental investigation of the metallic phases of sulfur at megabar pressures**

**R. Caracas**, O. Degtyareva, E. Gregoryanz, R.E. Cohen and R. Hemley

(SMEC 2005 Meeting – Study of Matter under Extreme Conditions, Miami, FL, April, 2005)

**invited talk** -
**Effects of chemistry on the properties and the phase transition of perovskite to post-perovskite with implications for the lowermost mantle**

**R. Caracas**and R.E. Cohen

(SMEC 2005 Meeting – Study of Matter under Extreme Conditions, Miami, FL, April, 2005) -
**Incommensurately modulated sulfur at megabar pressures: experimental and computational study**

*O. Degtyareva,***R. Caracas**, E. Gregoryanz, R.E. Cohen and R. Hemley

(2005 APS March Meeting, Los Angeles, March, 2005) -
**Total energy and linear response computations for perovskite and post-perovskite phases in the MgSiO**_{3}-FeSiO_{3}-Al_{2}O_{3}system

**R. Caracas**and R.E. Cohen

(2005 APS March Meeting, Los Angeles, March, 2005) -
**Ab initio simulations of incommensurate phases**

**R. Caracas**and X. Gonze

(First-principles simulations: perspectives and challenges in mineral sciences, CECAM Workshop, Lyon, September, 2004)

**invited lecture** -
**Density-functional perturbation theory, and its applications in mineral sciences**

*X. Gonze, G.-M. Rignanese and***R. Caracas**

(First-principles simulations: perspectives and challenges in mineral sciences, CECAM Workshop, Lyon, September, 2004)

**invited lecture** -
**Structure, equation of state, and elasticity of CaSiO**_{3}at lower mantle pressures

**R. Caracas**, B.B. Karki and R. Wentzcovitch

(Annual APS March Meeting, Montreal, Quebec, March, 2004) -
**First-principles determination of the behavior of calaverite, AuTe**_{2}under pressure

**R. Caracas**and X. Gonze

(Colloque de l’Association Francaise de Cristallographie, Caen, 2003) -
**Crystallography and Wannier functions in ABINIT**

**R. Caracas**, K. Rabe and X. Gonze

(Workshop ABINIT, 2002, Louvain-la-Neuve, Belgium) -
**First-principles simulations of calaverite**

**R. Caracas**and X. Gonze

(18th General Meeting of the International Mineralogical Association, Edinburgh, Scotland, September, 2002) -
**Linear-response identification of phase transitions**

*X. Gonze,***R. Caracas**and D. Klug

(Workshop on thermodynamical and structural properties of materials, Avignon, September 10-24, 2001)

**invited talk** -
**First-principles study of Pb**_{2}MgTeO_{6}perovskite

**R. Caracas**and X. Gonze

(Workshop on Fundamental Physics of Ferroelectrics, 2001, Williamsburg, Virginia, U.S.A.) -
**First-principles study of crystals exhibiting an incommensurate phase transition**

*X. Gonze,***R. Caracas**, P. Sonnet, F. Detraux, Ph. Ghosez, I. Noiret, and J. Schamps

(Workshop on Fundamental Physics of Ferroelectrics, 2000, Aspen, Colorado, U.S.A.)

**invited talk** -
**Simulations ab initio des phases incommensurables**

**R. Caracas**and X. Gonze

(The Xth Meeting of the FNRS Contact Group “Aspects modernes de la Mineralogie”, 2000, Bruxelles, Belgium) -
**Gaussian approximation of the electron density in FeS**_{2}polymorphs

**R. Caracas**

(The IXth Meeting of the FNRS Contact Group “Aspects modernes de la Mineralogie” 1998, Liege, Belgium) -
**Pattern analysis of the modulated structure of cannizzarite, Pb**_{46}Bi_{54}S_{127}

**R. Caracas**and Ph. Sonnet

(The IXth Meeting of the FNRS Contact Group “Aspects modernes de la Mineralogie” 1998, Liege, Belgium)

### In seminars

**Evolution and condensation of the proto-lunar disk**

(Earth and Life Science Institute, Tokyo Institute of Technology, Tokyo, Japan, February, 2017)**The Magma Ocean in the aftermath of the Giant Impact**

(Observatoire Cote d’Azur, Nice, January, 2017)**First-principles simulation of magmas in the Earth**

(Laboratoire Magmas et Volcans, University of Clermont Ferrand, Clermont-Ferrand, France, March, 2016)

**invited talk****Brief introduction to first-principles calculations**

(Polytechnic University of Bucharest, Bucharest, Romania, May 2015)

*Erasmus lecture***Theoretical modeling of Raman spectra**

(Faculty of Physics, University of Bucharest, Magurele, Romania, May 2015)

*Erasmus lecture**ab initio*modeling of molecular solids at extreme conditions

(Polytechnic University of Bucharest, Bucharest, Romania, May 2015)

*Erasmus lecture***First-principles simulations of complex silicate liquids in the Earth**

(Earth and Life Science Institute, Tokyo Institute of Technology, Tokyo, Japan, March 2015)

**invited talk****First-principles simulations of water ices VII and VIII at extreme conditions**

(Geophysical Laboratory, Carnegie Institution of Washington, Washington, USA, December 2014)

**invited talk****Constrains on the core composition from mineral physics**

(Dept. Earth Sciences, Tohoku University, Sendai, Japan, March 2014)

**invited talk**-
**Applications of DFT in the study of planetary interiors**

(LPMCN, Univ. Lyon 1, Lyon, France, January 2013)

**invited talk** -
**Planetary interiors from a computational perspective**

(Institut Neel, ETSF node, Greoble, France, June 2011)

**invited talk** -
**Numerical experiments for the deep Earth**

(Department of Earth Sciences, Tokyo Institute of Technology, Japan, March 2011)

**invited talk** -
**Fe-bearing perovskite and post-perovksite: phase stability, spin transitions, and the consequences for the lower mantle**

(Geodynamics Research Center, Ehime University, Matsuyama, Japan, February 2011)

**invited talk** -
**Earth and Planetary materials from a computational perspective**

(Ludwig-Maximilians University, Muenchen, September 2010)

**invited talk** -
**Earth and Planetary materials from a computational perspective**

(University of Muenster, Muenster, February 2010)

**invited talk** -
**High-pressure mineral physics from a computational perspective**

(Department of Earth Sciences, University of Califonia in Los Angeles, USA, December 2009)

**invited talk** -
**Ab initio modeling of planetary ices**

(Jet Propulsion Laboratory, Caltech, Pasadena, USA, December 2009)

**invited talk** -
**Minerals at extreme conditions from a computational perpective**

(GeoZentrum Munich, University Ludwig Maximilian, July, 2009) -
**Phase diagram of ice X**

(Mhedoc (=The French group on laser physics and laser shock), Fontainebleau, Ecole Polytehcnique, Mai, 2009) -
**First-principles calculations for mineralogy**

(Universite Montpellier, Mai, 2009)

**invited talk** -
**Theoretical Raman spectroscopy**

(DAM, CEA, Bruyere-le-Chatel, March, 2008)

**invited talk** -
**First-principles calculations for mineral physics**

(ENS Lyon, March, 2009) -
**Matter at extreme conditions**

(Unite de Physico-Chimie et Physique des Materiaux, Ecole Polytechnique, Universite Catholique de Louvain, Louvain-la-Neuve, January, 2009)

**invited talk** -
**Theoretical Raman spectroscopy**

(Bayerisches GeoInstitut, Bayreuth, Germany, July, 2008) -
**First-principles study of planetary ices**

(Laboratoire de Planetologie, Universite de Grenoble, January, 2008)

**invited talk** -
**Ab initio studies of major Earth and planetary materials**

(Division of Geological and Planetary Sciences, California Institute of Technology, Pasadena, CA, December, 2007) -
**Ab initio studies of major Earth and planetary materials**

(The Abdus Salam International Center for Theoretical Physics, Trieste, Italy, October, 2007)

**invited** -
**Ab initio studies of major Earth and planetary materials**

(Institut de Ciencia de Materials de Barcelona, Universidad Autonoma de Barcelona, Spain, September, 2007) -
**Complexity in the phase diagram of a simple compound: Nitrogen**

(Bayerisches Geoinstitut, University of Bayreuth, Germany, May, 2007) -
**First-principles studies of incommensurate materials**

(Bayerisches Geoinstitut, University of Bayreuth, Germany, May, 2006)

**invited** -
**Theoretical mineralogy: insights into the interior of the Earth**

(Bayerisches Geoinstitut, University of Bayreuth, Germany, November, 2005)

**invited** -
**Theoretical mineralogy: insights into the interior of the Earth**

(Centre de Recherche en MatiÃ¨re CondensÃ©e et Nanosciences (CRMCN), Marseille, France, November, 2005)

**invited** -
**High-pressure theoretical mineralogy – images of the Earth interior**

(T-1 Division, Los Alamos National Laboratory, October, 2005)

**invited** -
**First-principles calculations on major minerals present in the Earth’s lower mantle**

(Mineral Physics Luncheon Seminar Series, Division of Geological and Planetary Sciences, California Institute of Technology, Pasadena, CA, March, 2005)

**invited** -
**First-principles calculations on major minerals present in the Earth’s lower mantle**

(Department of Geosciences, University of Arizona, Tucson, AZ, March, 2005) -
**First-principles study of incommensurate materials**

(Rappe Group Seminars, Department of Chemistry, University of Pennsylvania, Philadelphia, PA, March, 2005)

**invited** -
**First-principles study of materials involved in incommensurate transitions**

(Geophysical Laboratory, Carnegie Institution of Washington, Washington, DC, March, 2004) -
**First-principles study of materials involved in incommensurate transitions**

(Ecole Normale Superieure de Lyon, Lyon, September, 2003) -
**First-principles study of materials involved in incommensurate transitions**

(Institut des Sciences de la Terre d’Orleans, Orleans, September, 2003)

**invited** -
**First-principles study of materials involved in incommensurate transitions**

(Universite Pierre et Marie Curie, Paris VI, Paris, September, 2003) -
**Ab-initio simulations of incommensurately modulated crystals**

(Rencontres SPMS, Ecole Centrale de Paris, September 21, 2000)

**invited** -
**Oxides: crystal morphology and crystal structure**

Universite Catholique de Louvain, Mineralogy Dept., 1997, Louvain-la-Neuve -
**Electrostatic potentials in interstratified oxides. Case study: euxenite**

Bucharest University, Mineralogy Dept. Meeting, 1997, Bucharest -
**Periodic bond chains in rutile and related structures**

Bucharest University, Mineralogy Dept. Meeting, 1996, Bucharest