Invited Lectures

2018
September 3-6 (2018) Bath, UK
Quantum Bio-Inorganic Chemistry meeting (QBIC-IV)
Seminar (invited speaker):
"tba"

July 17-19 (2018) Toledo, Spain
ESPA'2018
Seminar (invited speaker):
"Characterization and prediction of short-lived transition-metal species"

July 1-6 (2018) Munich, Germany
International Conference on Porphyrins and Phthalocyanines (ICCP-10)
"High-Valent Metal-Oxo and Their Precursor Macrocyclic Complexes: Structure and Reactivity" Symposium
Seminar (invited speaker):
"tba"

June 18-23 (2018) Menton, France
16th International Congress of Quantum Chemistry (ICQC)
Seminar (invited speaker):
"tba"

January (2018) Padova, Italia
Frontiers in Chemistry seminar
Seminar (invited speaker):
"Characterization of reactive high-valent transition-metal complexes"

2017
November 27-28 (2017) Stockholm, Sweden
"Missions of Universities over Time: Global Actors, National Champions or Local Power Houses?" conference (Royal Swedish Academy of Letters, History and Antiquities)
Seminar (invited speaker):
"Young Scholars and the Modern University"

November 10 (2017) Lyon, France
DFT-2017: Development and Application of Density Functional Theory. A meeting in honor of Prof. emeritus Henry Chermette
Seminar (invited speaker):
"Density Functional Approximations: Past, Present, Future"

August 27- September 1 (2017) München, Germany
WATOC 2017
Seminar (invited speaker):
"Characterization of reactive high-valent transition-metal complexes"

June 22-25 (2017) Putten, NL
FemEx 2017: Promoting female excellence in theoretical and computational chemistry
Seminar (keynote speaker):
"Spin state consistent density functionals"

March 10 (2017) Amsterdam, NL:
Research visit Bickelhaupt Lab
Seminar (invited speaker):
"Transition-metal chemistry: a new spin"

March 6-8 (2017) Noordwijkerhout, NL
The Netherlands Catalysis and Chemistry Conference (N3C)
Seminar (keynote speaker):
"The inner side of high-valent metal-oxo reactivity"

March 2 (2017) Utrecht, NL
PAC Symposium
Seminar (plenary speaker):
"Transition-metal chemistry: a new spin"

2016
December 19 (2016) Barcelona Supercomputing Center, Barcelona
Life Sciences Seminar (invited speaker):
"Accelerated spinning around in (bio)chemistry"

October 31 (2016) Seoul, Korea
Visit to Center for Biomimetic Systems (Prof. Wonwoo Nam)
Seminar (invited speaker):
"Spinning around in transition-metal chemistry"

October 26-28 (2016) Kyoto, Japan
Japan-France-Spain symposium on theoretical and computational chemistry for complex systems
Seminar (invited speaker):
"Spinning around in transition-metal chemistry"

September 4-8 (2016) Krakow, Poland
VII Current Trends in Theoretical Chemistry conference
(Session Chairman)
Seminar (plenary speaker):
"Spinning around in transition-metal chemistry"

June 22 (2016) Stockholm, Sweden
Visit to KTH Royal Institute of Technology, Theor. Chem. (Ahlquist)
Seminar (invited speaker):
"Spinning around in transition-metal chemistry"

June 10-11 (2016) Kragujevac, Serbia
Annual meeting of the Serbian Chemical Society
Seminar (plenary speaker):
"Spinning around in transition-metal chemistry"

2015
June 29-July 1 (2015) Paris, France
CECAM Workshop: Modeling activity vs. selectivity in metalloproteins
Seminar (invited speaker):
"Spin and oxidation states in enzymatic catalysis and biomimetic complexes"

May 12 (2015) Amsterdam, Nederland:
Visit to Bickelhaupt Lab at VU University Amsterdam:
Seminar (invited speaker):
"Catalase activity of MnIII complexes"

May 11 (2015) Groningen, Nederland:
Visit to Browne Lab at University of Groningen:
Seminar (invited speaker):
"Catalase activity of MnIII complexes"

April 16-17 (2015) Lisboa, Portugal
Final Meeting of COST Action CM1003
Seminar (invited speaker):
"Spin states of (Lewis-acid capped) high-valent transition-metal complexes: A challenge"

February 23 (2015) Delft, The Netherlands:
Visit to Dept. Chemical Engineering (TU Delft):
Seminar (invited speaker):
"Molecular modeling of biological and chemical processes"

2014
June 30-July 3 (2014) Girona, Spain
XI Girona Seminar
(Session Chairman)
Seminar (invited speaker):
"Spin states in metal, carbon-metal and metal-sulfur clusters"

February 24 (2014) Groningen, The Netherlands:
Visit to Theoretische Chemie group, RuG:
Seminar (invited speaker):
"Spin states of transition-metal complexes: A challenge"

February 18-20 (2014) Amsterdam, The Netherlands:
ADF Developer Workshop, SCM:
Seminar (invited speaker):
"A bit of many things"

2013
November 7-8 (2013) Uppsala, Sweden:
Research visit Kamerlin Lab
Seminar (invited speaker):
"Spin states of transition-metal complexes: A challenge"

October 23 (2013) Dublin, Ireland:
Research visit University College Dublin
Seminar (invited speaker, Autumn Seminars):
"Spin states of transition-metal complexes: A challenge"

August 19-23 (2013) Leiden, Netherlands:
Seminar at DFT-based Multilayer Methods for Nanoscale Systems
Seminar (invited speaker):
"Multi-level QM/MM and QM/QM methods"

May 21-26 (2013) Parry Sound, Ontario, Canada:
4th Georgian Bay International Conference on Biological Inorganic Chemistry
(Session Chairman)
Seminar (invited speaker):
"New advances in spin-states in biochemistry and inorganic chemistry"

April 9-16 (2013) Belgrade, Serbia
Research visit Gruden Lab, Chemistry Dept., University of Belgrade
Seminar (invited speaker):
"A new family of hybrid functionals"

March 8 (2013) Berlin, Germany:
Kaupp Lab at TU Berlin
Seminar (invited speaker):
"Spin states of (bio)inorganic systems: successes and pitfalls"

2012
October 19 (2012) Tarragona, Spain:
Research visit ICIQ
Seminar (invited speaker):
"Chemical reactivity of Endohedral Fullerenes"

October 17 (2012) Barcelona, Spain:
Research visit IQTCUB
Seminar (invited speaker):
"Chemical reactivity of Endohedral Fullerenes"

June 21-23 (2012) Los Angeles, USA:
Quantum Mechanics and Molecular Dynamics of Chemical and Biological Reactivity
Seminar (invited speaker):
"Chemical reactivity of Endohedral Fullerenes"

June 19 (2012) Los Angeles, USA:
Research visit Houk Lab, UCLA
Seminar (invited speaker):
"Recent advances with SSB-D functionals"

May 22-29 (2012) Belgrade, Serbia
Research visit Gruden Lab, Chemistry Dept., University of Belgrade
Seminar (invited speaker):
"Modeling of biological and chemical processes"

May 10 (2012) Girona, Spain:
TEDxUdG
Seminar (invited speaker):
I'm a Chemist..... [youtube] [slideshare]

2011
December 5-9 (2011) Riviera Maya, Mexico:
XXXVII Congreso de Químicos Teóricos de Expresión Latina
Seminar (invited speaker):
"Chemical bonding in supermolecular flowers"

July 25-28 (2011) Valencia, Spain:
XXXIII Reunión Bienal de RSEQ
Seminar (invited speaker):
"Fullerene reactivity: what can be learned from computational studies"

June 21-22 (2011) Tarragona, Spain:
XXVII Reunió Anual de la XRQTC
Seminar (invited speaker):
"Recent advances with the SSB-D functional"

March 13-16 (2011) Tromsø, Norway:
Research visit Ghosh Lab:
Seminar (invited speaker):
"Improved density functional for biological applications (SSB-D)"

February 24 (2011) Groningen, The Netherlands:
Visit to Theoretische Chemie group, RuG:
Seminar (invited speaker):
"Improved density functional for biological applications (SSB-D)"

2010
October 18-20 (2010) Girona, Spain:
Girona Workshop on Theoretical Chemistry 2010
Seminar (invited speaker):
"Improved density functional for biological applications (SSB-D)"

July 5-8 (2010) Girona, Spain:
IX Girona seminar on Electron Density, Density Matrices, and Density Functional Theory
Dedicated to 70th birthday of Prof. Ramon Carbó-Dorca
Seminar (invited speaker):
"(revised) SSB-D: A new functional for biological applications"

May 14 (2010) Barcelona, Spain:
LifeSciences Seminar at BSC Life Sciences
Seminar (invited speaker):
"(revised) SSB-D: A new functional for biological applications"

2009
September 29 - October 3 (2009) Rhodos, Greece:
ICCMSE"09 conference
Seminars (invited speaker):
"The chemical reactivity of Ng2@C60 species (Ng=He, Ne, Ar, Kr and Xe)"
"A new DFT functional based on spin-states and SN2 barriers"
"Accurate description of spin states and its implications for catalysis"

September 23 (2009) Santander, Spain
2nd User Meeting of la Red Española de Supercomputación (RES)
Seminar (invited speaker):
"The antioxidant effects of C60 derivatives. A DFT study of the reaction mechanism"

2008
September 2-6 (2008) Wroclaw, Poland:
9th European Biological Inorganic Chemistry (EuroBic) conference
Seminar (invited Keynote speaker):
"Accurate spin-state energies for first-row transition metal complexes"

June 27 (2008) Rochester (NY), USA:
Research visit to Bren Lab
Seminar (invited speaker):
"Accurate spin-state energies"

2006
December 20 (2006) Amsterdam, The Netherlands:
Theoretische Chemie, VU Amsterdam
Seminar (invited speaker):
"Improved geometry optimization techniques for the study of metal-ligand bonding in metallocenes"

July 3-7 (2006) Leiden, The Netherlands:
Progress in ab initio modeling of biomolecules: methods and applications workshop
Seminar (invited speaker):
"Computational study on the structure of DNA"

2005
October 21-25 (2005) Loutraki, Greece:
ICCMSE"05 conference
Seminar (invited speaker):
"Computational study on structure and replication of DNA"

September 2 (2005) Philadelphia, USA:
University of Philadelphia
Seminar (invited speaker):
"Applications of ADF: NMR of DNA, accuracy of geometries, polarizabilities, solvent effects"

August 28-September 1 (2005) Washington DC, USA
ADF workshop at 230th ACS meeting
Seminar (invited speaker):
"Applications of ADF: NMR of DNA, accuracy of geometries, polarizabilities, solvent effects"

May 11 (2005) Leiden, The Netherlands:
Theoretische Chemie Universiteit Leiden
Seminar (invited speaker):
"NMR and H-bonding of DNA vs. RNA and Spin ground states of iron complexes"

2004
September 30 (2004) Girona, Catalunya (Spain):
Institut de Química Computacional
Seminar (invited speaker):
"Spin ground states of iron complexes and Does NMR probe the hydrogen bond strength of DNA/RNA ?"

April 2 (2004) La Jolla, USA:
Scripps Institute
Seminar (invited speaker):
"Density Functional Theory applied to iron complexes and proteins"

February 9-10 (2004) Lecce, Italy:
SAMBA Workshop on self assembly of proteins on metal surfaces
Seminar (invited speaker):
"Modelling active sites:
Density Functional Theory applied to metalloproteins"

2003
May 24-30 (2003) Tokyo-Yokohama-Sendai, Japan:
Lecture-series
Seminars (invited speaker):
"The art of QM/MM. Implementation and applications"

March 21 (2003) Auburn, USA:
Visit to McKee Lab at University of Auburn.
Seminar (invited speaker):
"A QM/MM study on the catalytic cycle of cytochrome P450"

2001
December 3 (2001) Amsterdam, The Netherlands:
Theoretical Chemistry, VU Amsterdam
Seminar (invited speaker):
"Protein active site geometries obtained by a QM/MM approach. DFT applied to azurin"

November 28-30 (2001) Leiden, The Netherlands:
Theoretical Workshop on "Modelling, Quantum Chemistry, Molecular Dynamics, and Spectroscopy of Blue Copper Proteins and their Protein Matrices"
Seminar (invited speaker):
"Protein active site geometries obtained by a QM/MM approach. DFT applied to azurin"

May 28-31 (2001) Oulu, Finland:
QM/MM workshop
Seminar (invited speaker):
"Improving the description of active sites of proteins"