Team


Simon Olsson
he/him/his
Principal Investigator
Assistant Professor

Simon was an undergraduate researcher at University of Copenhagen with the late Flemming M. Poulsen working on protein folding and NMR Spectroscopy in SBiN Lab. He continued his MSc research in SBiN Lab with Kaare Telium working on ensemble modeling and NMR spectroscopy of the intrinsically disordered peptide IAPP.

Simon moved on to do a PhD with Thomas Hamelryck in statistical bioinformatics with applications in structural biology at SCARB.

In 2014, Simon was awarded an independent postdoctoral fellowship from the Danish Council for Independent Research to move to Switzerland and take up a postdoc with Andrea Cavalli and Roland Riek jointly at the IRB in Bellinzona and ETH Zurich. Here, Simon worked on developing methods for combining experimental biophysical data with molecular simulations.

In 2016, Simon was awarded the DRS postdoctoral fellowship and an Alexander von Humboldt postdoctoral fellowship to join Frank Noé at FU Berlin to work on integrative methods for structural biology and artificial intelligence methods for the sciences.

Since October 2020, Simon is a WASP AI-MLX Professor for Artificial Intelligence in the Natural Sciences, at Chalmers, where he leads the Artificial Intelligence in the Natural Sciences (AIMLeNS) group.


Christopher Kolloff
he/him/his
PhD student

Christopher works on generative models for protein structure and experimental data integration. He obtained his Bachelor’s degree in Molecular Biology from the University of Basel (Switzerland). He continued to do his Master’s in Structural Biology and Biophysics at the Biozentrum in the lab of Sebastian Hiller working on simulations of NMR experiments.


Joined the lab on 21-08-01 (YY-MM-DD).


Juan Viguera Diez
Industrial PhD student (AstraZeneca)

Juan works on deep generative models for sampling of 3D configurations of small, drug-like molecules, and molecular property prediction (Industry advisors: Ola Engkvist and Atanas Patronov). Before starting as a PhD student, Juan worked in the group as a MSc student with Sara to build deep generative models for molecular design with desired property profiles and 3D conformer distributions. That project was co-supervised by Dr. Rocío Mercado (AstraZeneca).


Joined the lab on 21-01-18 (YY-MM-DD).


Tobias Karlsson
PhD student

Tobias works on generative, probabilistic models for protein sequences with application in protein and biologics design. Before joining the lab, Tobias did his MSc thesis with Prof. Claes Strannegård on Multi-Agent Deep Reinforcement Learning in a Three-Species Predator-Prey Ecosystem.


Joined the lab on 21-09-01 (YY-MM-DD).


Vladimir Pastukhov
Postdoc


Joined the lab on 21-10-01 (YY-MM-DD).


Riccardo Beccaria
he/him/his
ERASMUS, MSc Student

Riccardo works on score-based methods for density estimation with applications in molecular systems.


Joined the lab on 22-03-10 (YY-MM-DD).


Berta

Berta’s research focuses on branch chewing methodology, and squirrel chasing strategies.


Joined the lab on 22-01-14 (YY-MM-DD).


Alumni:


Sara Romeo Atance
MSc student

Sara works with Juan to build deep generative models for molecular design with desired property profiles and 3D conformer distributions. Co-supervised by Dr. Rocío Mercado (AstraZeneca).


Sara Romeo Atance was working with us from 21-01-18 to 21-06-21, and has since moved on to be Global Graduate at Volvo Cars.


Azadeh Karimisefat
MSc Student

Azadeh works with Dipti to build deep generative models to accelerate molecular conformer generation by incorporating new Normalizing Flows that respect data topology and are more efficient molecular convolutional models. She is a MSc student in Applied Data Science and is co-supervised by Juan.


Azadeh Karimisefat was working with us from 22-01-17 to 22-08-31, and has since moved on to be Software Engineer at Volvo Group.


Dipti Aswal
MSc student

Dipti works with Azadeh to build deep generative models to accelerate molecular conformer generation by incorporating new Normalizing Flows that respect data topology and are more efficient molecular convolutional models. She is a MSc student in Data Science and AI and is co-supervised by Juan.


Dipti Aswal was working with us from 22-01-17 to 22-08-31, and has since moved on to be Operational Planner at Volvo Trucks.


Enmin Su
he/him/his
MSc Student

Enmin works with Wenli on deep dynamic graphical models for molecular kinetics.


Enmin Su was working with us from 22-01-14 to 22-09-28, and has since moved on to be Pending....


Guillem Casadevall
Visiting PhD student

Guillem is doing a Ph.D. focused on developing computational protocols for enzyme design under the supervision of Prof. Sílvia Osuna and co-supervision of Dr. Javier Iglesias. He obtained a Bachelor’s degree in Biotechnology and a Master’s degree in Advanced Catalysis and Molecular Modeling from the Univesity of Girona.


Guillem Casadevall was working with us from 22-01-12 to 22-05-04, and has since moved on to be PhD Student at University of Girona.


Gustav Lahti
MSc student

Gustav worked with Agnes to use multi-label classification methods to predict contexts for chemical reactions. Co-supervised by Dr. Samuel Genheden and Dr. Thierry Kogej (AstraZeneca).


Gustav Lahti was working with us from 21-01-18 to 21-06-01, and has since moved on to be Consultant at Ericsson.


David Larsson
MSc student

David worked with Julia on deep generative models for near-term quantum device control with applications in chemistry. Co-supervised by Assistant Professor Morten Kjaergaard (NBI, University of Copenhagen).


David Larsson was working with us from 21-01-18 to 21-07-05, and has since moved on to be working at CEVT, Emerging Tech..


Agnes Mårdh
MSc student

Agnes worked with Gustav to use multi-label classification methods to predict contexts for chemical reactions. Co-supervised by Dr. Samuel Genheden and Dr. Thierry Kogej (AstraZeneca).


Agnes Mårdh was working with us from 21-01-18 to 21-06-01, and has since moved on to be Developer at Bokio.


Julio Ponte Hernandez
MSc student

Julio worked on learning inter-molecular potentials using deep energy-based models via score-based estimators for drug-discovery. Co-supervised by Dr. Rocío Mercado (AstraZeneca).


Julio Ponte Hernandez was working with us from 21-01-18 to 21-06-09, and has since moved on to be Data Scientist at Heliospectra.


Julia Szulc
MSc student

Julia worked with David on deep generative models for near-term quantum device control with applications in chemistry. Co-supervised by Assistant Professor Morten Kjaergaard (NBI, University of Copenhagen).


Julia Szulc was working with us from 21-01-18 to 21-07-05, and has since moved on to be Data Scientist at Volvo Cars.


Wenli Gao
she/her/hers
MSc Student

Wenli works with Enmin on deep dynamic graphical models for molecular kinetics. She is a MSc Student in Data Science and AI.


Wenli Gao was working with us from 22-01-14 to 22-09-28, and has since moved on to be Software Engineer at Etraveli Group.