## presentations

that I have given since 2006 or that I am going to give shortly

older presentations are being uploaded gradually

Keynote talk to be given at the XXIX IUPAP Conference on Computational Physics, Paris, July 9-13, 2017

Car and Parrinello meet Green and Kubo: simulating atomic heat transport from equilibrium ab-initio molecular dynamics

Talk to be given at the March Meeting of American Physical Society, New Orleans, LA, March 13-17, 2017

Car and Parrinello meet Green and Kubo: simulating atomic heat transport from equilibrium ab-initio molecular dynamics

Talks given at the Department of Earth Sciences at University College London (February 20, 2017), the Department of Physics at the University of Cambridge (February 23, 2017), and the Department of Materials at the University of Oxford (February 24, 2017)

Lecture given at the *Advanced Workshop on High-Performance & High-Throughput Materials Simulations using QUANTUM ESPRESSO*, the Abdus Salam International Centre for Theoretical Physics, Trieste, January 16- 27, 2017

Talk given at the *18th International Workshop on Computational Physics and Materials Science: Total Energy and Force Methods*, the Abdus Salam International Centre for Theoretical Physics, Trieste, January 12- 14, 2017

Talk given at the *First International Symposium on Research and Education in Computational Science*, The University of Tokyo, November 29-30, 2016

Talk given at the Department of Physics, the University of Tokyo, November 28, 2016

Talk given at the *International Conference on Algorithms and Applications for Excited State Electronic Structure Theories, *Beijing Computational Science Research Center, Beijing, China, August 8-10, 2016

Talk given at the CPMD 2016 Conference, Institute for Molecular Engineering, University of Chicago, May 18-20, 2016

Lectures given at the *EUSpec Winter School on Core Level Spectroscopies*, University of Nova Gorica, Ajdovščina, Slovenia, February 1-11, 2016

Density-functional perturbation theory: response functions, phonons, and all that

Lectures given at the QUANTUM ESPRESSO Spring School, Córdoba, Argentina, September 28 – October 2, 2015

Density-functional perturbation theory: response functions, phonons, and all that

Density-functional perturbation theory goes time-dependent

Computer simulation of thermally activated processes with QUANTUM ESPRESSO

Talk given at the 19th Symposium on Condensed Matter Physics, Belgrade, September 7-11, 2015

What I cannot compute I do not understand: fathoming heat transport from the struggle to simulate it

Talk given at the symposium in honor of Flavio Toigo’s seventieth birthday, Padua, June 4-5, 2015

What I cannot compute I do not understand: fathoming heat transport from the struggle to simulate it

Talk given at the symposium in honor of Giovanni B. Bachelet’s sixtieth birthday, Rome, May 4-6, 2015

What I cannot compute I do not understand: fathoming heat transport from the struggle to simulate it

Lectures given at the QUANTUM ESPRESSO Workshop, Penn State University, State College PA, June 16-20, 2014

Density-functional perturbation theory: response functions, phonons, and all that

Density-functional perturbation theory goes time-dependent

*Quantum seminars* given at the Department of Physics, University of Trieste, May 5-12, 2014

Classical diffusion, quantum mechanics, computer simulations: wanders of a quantum practitioner into the harsh Land of Theory

Talk given at the Department of Chemical System Engineering, University of Tokyo, April 28, 2014

Ab initio colors

Lecture given at the course and hands-on tutorial on Computer modeling of materials at the nanoscale, University of Tokyo, Japan, April 23-26, 2014

Computational spectroscopy with QUANTUM ESPRESSO

The QUANTUM ESPRESSO project & foundation (concluding remarks to the course and tutorial)

Lectures given at the Workshop on Computational Nanoscience, March 30 – April 5, 2014, Shiv Nadar University, Delhi, India

Ab initio colors (public lecture)

Density-functional perturbation theory goes time-dependent (lecture)

The QUANTUM ESPRESSO project & foundation (introduction to the hands-on tutorial)

Mini-course given at the Department of Physics of the University of Cagliari, Italy, March 10-11, 2014

Density-functional perturbation theory goes time-dependent

Speech given at the Friuli Future Forum, Udine, Italy, November 27, 2013

I sapori dell’arcobaleno: vedere colori e colorare il cibo con il computer

Speech given at the celebratory symposium to honor Claudio Rebbi’s seventieth birthday, Hotel Commonwealth, Boston MA, October 25, 2013

Classical diffusion, quantum mechanics, computer simulations: two-three ideas from condensed-matter physics that Claudio may like, and a fourth that made us meet (pdf/mov)

Greater Boston area theoretical chemistry lecture, given at Harvard University, Cambridge MA, October 24, 2013

Ab initio colors

Talk given at the IMMM@HPC Industrial Forum and Training for Materials Modeling, Bologna, September 11-13, 2013

The QUANTUM ESPRESSO project & foundation

Talk given at the FISMAT2013 Conference on Condensed-Matter Physics, Milano, September 9-13, 2013

Ab initio colors

Lecture given at the ICTP Workshop on Density Functional Theory and Beyond: Computational Materials Science for Real Materials , ICTP, Trieste, Italy, August 8-15, 2013

Simulating molecular excitations using quantum mechanics and digital computers

Lecture given at the CECAM Summer School on Atomistic Simulation Techniques for Materials Science, Nanotechnology and Biophysics, SISSA, Trieste, Italy, July 8-26, 2013

Modeling materials using quantum mechanics and digital computers – variational principles, the Hellmann-Feynman theorem, density-functional theory

Lectures given at the Joint ICTP-NSFC School and Advanced Workshop on Modern Electronic Structure Computations, July 8-9, 2013, Fudan University, Shanghai

Modeling materials using quantum mechanics and digital computers – variational principles, the Hellmann-Feynman theorem, density-functional theory

Density-functional perturbation theory: phonons, response functions, and all that

Talk given at the International Symposium on Multi-scale Modeling and Simulation of Materials, July 8-9, 2013, Fudan University, Shanghai

Harnessing molecular excites states with Lanczos chains

Informal webinar for internal use, broadcasted on April 29, 2013,

quantum materials modeling using density-functional theory (pdf/mov)

Talk given at the Ångströmlaboratoriet, University of Uppsala, Sweden, April 19, 2013,

Ab initio colors (pdf/mov)

Informal short lecture given at the Laboratoire des Solides Irradiés, Ecole Polytechnique, Palaiseau, France, April 15, 2013

Kohn anomalies for the rest of us

Talk given at Department of Materials, Ecole Polytechniyque Fédérale de Lausanne, Switzerland, March 25, 2013,

Ab initio colors (pdf/mov)

Guest lecture given at the Department of Materials, EPFL, Lausanne, Switzerland, March 12, 2013

a gentle (and slightly fake) introduction to Quantum Mechanics

Talk given at the CECAM workshop on Calculation of Optical Properties of Nanostructures from First Principles, EPFL, Lausanne, February 19-22, 2013

Excited-state calculations without Kohn-Sham excited-state orbitals

Talk given at the 2013 QUANTUM ESPRESSO Developers’ meeting, SISSA, Trieste, January 9, 2013

The QUANTUM ESPRESSO project & foundation

Talks given at the 15th Asian Workshop on First-Principles Electronic Structure Calculations, November 5-7, 2012, Institute of Atomic and Molecular Sciences, Academia Sinica, Taipei

Modeling the color of natural dyes

The QUANTUM ESPRESSO project & foundation

Talk given CECAM Conference Energy from the Sun, Chia Laguna, Italy, September 10-14, 2012

Modeling the color of natural dyes

Lectures given at the Joint ICTP – TWAS Caribbean School on Electronic Structure Fundamentals and Methodologies, Cartagena, Colombia, August 27 – September 21, 2012

Zen and the art of computer simulation: an introduction to the QUANTUM ESPRESSO project and philosophy

Modeling materials using quantum mechanics and digital computers: variational principles, the Hellmann-Feynman theorem, density-functional theory

Lecture given at the HoW exciting! Hands-on Workshop on Excitations in Solids, Humboldt Universität zu Berlin, Germany, August 2-8, 2012

Density-functional perturbation theory: response functions, phonons, and all that

Lecture given at CECAM Summer School on Atomistic Simulation Techniques for Material Science, Nanotechnology and Biophysics, SISSA, Trieste, Italy, July 9-28, 2012

Density-functional perturbation theory goes time-dependent (pdf/mov)

Lecture given at the CEA-INSTN summer school on Fundamentals of thermodynamic modeling of materials, Saclay, France, July 2-6, 2012

Density-functional perturbation theory: phonons, response functions, and all that

Lectures given at the QUANTUM ESPRESSO Workshop, Penn State University, State College PA, June 25-29, 2012

Density-functional perturbation theory: phonons, response functions, and all that

Density-functional perturbation theory goes time-dependent (pdf/mov)

Talk given at ICAMM 2012: Second International Conference on Advanced Materials Modeling, Nantes, France, June 14-16, 2012

Ab initio colors (pdf/mov)

Talk given at the Physics Department of the University of North Texas, June 12, 2012

Ab initio colors (pdf/mov)

Talk given at ES12: The 24th Annual Workshop on Recent Developments in Electronic Structure Theory, Wake Forest University, WInston-Salem NC, June 5-8, 2012

Ab initio colors (pdf/mov)

Talk given at the meeting of the Eurotech Scientific Advisory Board, Amaro, Italy, May 31, 2012

The QUANTUM ESPRESSO project & foundation

Talk given at the 5th International workshop and school on Time-dependent Density-Functional Theory: Prospects and Applications, Benasque, Spain, January 3-17, 2012

Ab initio colors (and a few thoughts on functionals for spectroscopy) (pdf/mov)

Talk given at the Workshop on First-Principles Computational Methodologies for Two-Dimensional Materials, Lancaster University, UK, September 14-16, 2011

Computational spectroscopy with QUANTUM ESPRESSO

Talk given at the workshop in honor of Alfonso Baldereschi’s 65th birthday, EPFL, Lausanne, Switzerland, September 9, 2011

Ab initio colors (pdf/mov)

Lectures given at the Ψk-CECAM-CCP9 Biennial Graduate School in Electronic-Structure Methods, Department of Materials, University of Oxford, UK, July 10-16, 2011

Modeling materials using quantum mechanics and digital computers: variational principles, the Hellmann-Feynman theorem, density-functional theory

(time-dependent) density-functional perturbation theory (pdf/mov)

Talk given at the Department of Materials, University of Oxford, UK, May 10, 2011

Bridging the size gap between ground- and excited-state electronic-structure calculations (pdf/mov)

Talk given at the Laboratorio Interdisciplinare di Scienza Computazionale, Università di Trento, Italy, May 5, 2011

Powering computational spectroscopy into the hundred-of-atoms size range and beyond (pdf/mov)

Welcome address to SISSA condensed-matter freshmen, Trieste, Italy, March 16, 2011

Why things work the way they do: serious answers to silly questions (pdf/mov)

Report to the SISSA International Advisory Committee, Trieste, Italy, March 10, 2011

Condensed matter theory and simulation @SISSA (pdf/mov)

Talk given at the CNR-DMD workshop on Computational Materials Science, Rome, Italy, February 21-22, 2011,

The QUANTUM ESPRESSO project & foundation (pdf/mov)

Brief speech given at the Mi&LAB Microfestival su scienza, musica, arte e tecnologia: Lo statuto del caso, Teatro Miela, Trieste, Italy, February 7, 2011,

Casualità, causalità, caso e caos (pdf/mov)

Lecture given at the Hands-on tutorial on electronic-structure computations, the Abdus Salam International Centre for Theoretical Physics, Trieste, Italy, January 17-21, 2011

Density-functional perturbation theory: forces, response functions, phonons, and all that (lecture slides)

Lecture given at the JNCASR/SISSA/IBM School on First Principles Simulations, JNCASR, Bangalore, India, November 29-December 2, 2010,

Electronic structure, density-functional theory, plane waves: a quick (and, slightly, different), overview, of terms, concepts, and codes (lecture slides)

Seminar given at the Indian Institute of Science, Education, and Research, Pune, India, November 18, 2010,

Computational spectroscopy: from proof-of-concept experiments towards realistic modeling of complex electronic systems (talk slides)

Lecture given at the Winter school on Fundamentals of Thermodynamic Modeling of Materials, INSTN-CEA, Saclay, France, November 15-19, 2010,

Density-functional perturbation theory for quasi-harmonic calculations (lecture slides)

Seminar given at the École Polytechnique, Palaiseau, France, November 15, 2010,

Harnessing molecular excited states with Lanczos chains (talk slides)

Lecture given at the HoW exciting! hands-on tutorial, CECAM, Lausanne, Switzerland, November 11-17, 2010

Density-functional perturbation theory: forces, response functions, phonons, and all that (lecture slides)

Lecture given at the nanoexcite hands-on tutorial, SISSA, Trieste, Italy, October 18-22, 2010

Density-functional (perturbation) theory(talk slides)

Talk given at the kickoff meeting of the Officina dei Materiali institute, Trieste, Italy, September 30-October 1, 2010

Materials modeling and computational spectroscopy with QUANTUM ESPRESSO (pdf,mov)

Plenary lecture given at the Ψk 2010 Conference, Berlin, Germany, September 12-16, 2010

Powering computational spectroscopy into the hundred-of-atoms size range and beyond (pdf/mov)

CECAM Tutorial on Simulating spectroscopy using QUANTUM ESPRESSO and related codes, SISSA, Trieste, Italy, July 26-30, 2010

Density-functional perturbation theory goes time-dependent (lecture slides)

Computational spectroscopy with QUANTUM ESPRESSO (talk slides)

CECAM Summer School on Atomistic Simulation Techniques, SISSA, Trieste, Italy, July 5-24, 2010

Watching the sound of waves: the science, art, and craftsmanship of Fourier analysis (lecture slides)

Computational spectroscopy with QUANTUM ESPRESSO (talk slides)

Spring College on Computational Nanoscience, ICTP, Trieste, Italy, May 17-28, 2010

Variational principles, the Hellmann-Feynman theorem, density-functional theory (lecture slides)

Density-functional perturbation theory: forces, response functions, phonons, and all that (lecture slides)

Short course given at the Fudan University, Shanghai, China, January 11-15, 2010

(time-dependent) density-functional (perturbation) theory (syllabus and further links)

Fall meeting of the American Geophysical Union, San Francisco CA, December 14-18, 2009

Computational spectroscopy with QUANTUM ESPRESSO (talk slides)

MSA short course on Theoretical and computational methods in mineral physics: applications to geophysics, Berkeley CA, December 10-12, 2009

Density-functional perturbation theory for quasi-harmonic calculations (lecture slides)

IARS Frontier Workshop on DFT and its Applications in Nanosciences, Institute of Theoretical and Applied Physics, Kaygıseki Mevkii Turunç, Marmaris Muğla, Türkiye, October 19-29, 2009

Electronic structure, density-functional theory, plane waves: a quick (and slightly different) overview of terms, concepts, and codes (lecture slides)

Density-functional perturbation theory goes time-dependent (lecture slides)

Summer school on Modeling nanostructures using density-functional theory, Izmir Yüksek Teknoloji Enstitüsü, Izmir, Türkiye, August 10-21, 2009

Density-functional perturbation theory goes time-dependent (lecture slides)

Summer school on Materials modeling from first principles: theory and practice, International Center for Materials Research, University of California at Santa Barbara, July 19-31, 2009

Electronic structure, density-functional theory, plane waves: a quick overview of terms and concepts (lecture slides)

Density-functional perturbation theory goes time-dependent (lecture slides)

Talk given at the Physics Department, Arizona State University, Tempe AZ, July 13, 2009

Harnessing molecular excited states with Lanczos chains (slides)

Gordon Research Conference on Time-dependent density-functional theory, Colby College, New London NH, July 5 – 20, 2009

Introduction to a session on numerical developments and new functionals (slides)

Gordon Research Conference on Time-dependent density-functional theory, Colby College, New London NH, July 5 – 20, 2009

Harnessing molecular excited states with Lanczos chains (slides)

Workshop on Accessing large length and time scales with accurate quantum methods, held in honor of Mike Gillan’s 65th birthday, Materials Simulation Laboratory, UCL, London, UK, January 12-13, 2009

Harnessing molecular excited states with Lanczos chains (slides)

Colloquium given at the Competence Center for Computational Chemistry (C4), ETH Zürich, Switzerland, October 9, 2008

Bridging the size gap between ground- and excited-state electronic-structure calculations (slides)

Open day, Miramare Science Campus: un mondo di scienza da esplorare, SISSA, Trieste, Italy, September 20, 2008

Teoria e simulazione numerica: due potenti microscopi per guardare la materia alla scala nanometrica (slides, in Italian)

Hands-on tutorial on the QUANTUM ESPRESSO package, following the International symposium on Multi-scale modeling and simulation of materials Fudan University, Shanghai, China, July 7 – 11, 2008

Simulating the structure and dynamics of matter using density-functional theory: the plane-wave pseudopotential way (slides)

International symposium on Multi-scale modeling and simulation of materials, Fudan University, Shanghai, China, July 7 – 11, 2008

Density functional perturbation theory goes time-dependent (slides)

CPMD 2008 conference on Modeling and computation of structure and dynamics of condensed phase systems, ICTP, Trieste, Italy, June 23 – 27, 2008

Density functional perturbation theory goes time-dependent (slides)

Talk given at the Accademia Peloritana dei Pericolanti, Messina, Italy, February 22, 2008

Classical diffusion, quantum mechanics, computer simulations: understanding non equilibrium phenomena using path integrals and digital computers (slides)

CASPUR Scuola estiva di calcolo avanzato, Grottaferrata, Roma, Italy, August 27 – September 7, 2007

Zen and the art of computer simulation (slides)

CCP2007 Conference on Computational Physics, Bruxelles, Belgium, September 5 – 8, 2007

Density-functional perturbation theory goes time-dependent (slides)

Gordon Research Conference on Time-dependent density-functional theory, Colby College, Maine, July 15 – 20, 2007

Turbocharging time-dependent density-functional theory with Lanczos chains (slides)

Seminars given at the Cavendish Laboratory Cambridge (June 14) and King’s College London, UK, June 26, 2007

Density functional perturbation theory goes time-dependent (slides)

Roberto Car 60th Birthday Symposium, Trieste, Italy, June 21 – 23, 2007

Density functional perturbation theory goes time-dependent (slides pdf / mov)

Topical session on Computer Simulations of the Master in Comunicazione della Scienza, SISSA, Trieste, Italy, May 31, 2007

Lo zen e l’arte della simulazione numerica (slides, in Italian)

Colloquium given at the School of Physics of the University of Sidney, Australia, March 12, 2007

Classical diffusion, quantum mechanics, computer simulations: understanding non-equilibrium phenomena using path integrals and computers (slides)

13th international workshop on Computational Physics and Materials Science: Total Energy and Force Methods, Trieste, Italy, January 10 – 13, 2007

Turbocharging time-dependent density-functional theory with Lanczos chains (slides)

ESF forward look on European computational science, community level workshop: Atomistic simulations, Jülich, Germany, November 13 – 14, 2006

Computer simulation from ideas to algorithms, codes, and applications (slides)

International workshop on Time-dependent density-functional theory: prospects and applications, Benasque, Spain, September 6 – 10, 2006

Turbocharging time-dependent density-functional theory with Lanczos chains (slides)

Summer school on Electronic structure calculations and correlated materials, Les Houches, France, August 27 – September 8, 2006

Density Functional Theory: a different elementary introduction (lecture notes, draft)

Summer school on Ab initio molecular dynamics methods in chemistry, University of Illinois at Urbana Champaign IL, July 31 – August 11, 2006

Molecular structure and dynamics with DFT: the plane-wave pseudopotential way (slides)

Computer simulation of thermally activated processes (slides)

Density-functional perturbation theory: forces, response functions, and all that (slides)

Summer school on Electronic structure methods and applications, and workshop on Computational materials theory, Bangalore, India, July 10-22, 2006

Density-functional perturbation theory: forces, response functions, and all that (lecture slides)

Turbocharging time-dependent density-functional theory with Lanczos chains (talk slides)

Zen and the art of computer simulations: an inquiry into values (tutorial slides)

vLab Tutorial on Computational materials/mineral physics, University of Minnesota, Minneapolis, May 21 – June 3, 2006

The plane-wave pseudopotential method (lecture slides)

Density-functional perturbation theory: forces, response functions, and all that (lecture slides)

The QUANTUM ESPRESSO project (lecture slides)

International congress on Materials science and engineering CISGM4, University of Tlemcen, Algeria, May 2-4, 2006

Density-functional perturbation theory: from lattice vibrations to electronic excitations (talk slides)

March Meeting of the American Physical Society, Baltimore MD,March 13-17, 2006

Turbocharging time-dependent density-functional theory with Lanczos chains (talk slides)