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Date: Mon Dec 17 07:36:13 2018
Subject: 18.12.17 PhD: Quantum Machine Learning & Alchemy in Switzerland, Basel
Chemical compound space is huge and has hardly been explored. 
Yet it might well hold the key to contribute substantially to our 
understanding of chemistry as well as to practical solutions for many of 
modern society's most pressing problems, including energy, water, 
planetary chemistry, or ageing and disease. 
We develop, implement and apply the computational tools which enable 
us to investigate, explore, and navigate this space with physics based 
rigour and to unprecedented extent. For this, we rely on the principles of 
physical chemistry (as encoded in popular atomistic simulation codes
 which apply quantum mechanics, thermodynamics, and statistical 
mechanics to real materials), Machine Learning, and high-performance 
computing. We have ongoing collaborations with leading Machine Learning 
(incl. Google Accelerated Science) and quantum chemistry experts.

We have recently been awarded multiple research grants (ERC Consolidator/SNSF 
project/SNSF Big Data/National Center for Computational Design and Discovery 
of Novel Materials (MARVEL)/Swiss Nano Institute) and are now looking to hire ambitious, driven, 
skilled and talented individuals (aka nerds) who would like to join our efforts. 
The goal is to develop, implement and apply machine learning methods which 
enable the design or discovery of new materials, molecules, or biomolecules 
using quantum mechanics (mostly DFT), Big Data, statistical mechanics, and 

Depending on applicant, positions can be arranged at the postdoctoral associate 
or PhD-student level.

Necessary skills and characteristics:
-Very strong interest in chemical compound space
-Quantum mechanics/quantum chemistry knowledge
-Some experience with first principles based atomistic simulation methods 
applied to molecules, solids or liquids (post-Hartree Fock electron correlation 
methods/density functional theory/semi-empirical methods) and/or stat mech 
methods (molecular dynamics, Monte Carlo)
-Programming and scripting skills
-linux user 
-Master of Science in physical chemistry (materials or physics 
will be considered too) from an accredited institution.
-Demonstrated writing skills

Desirable experience:
-Development of quantum or stat mech codes

-join our vibrant, interdisciplinary, and international research group in Basel
-collaborate with experimentalists and industrial partners
-experience a stimulating working environment: We are a member of the 
Institute of Physical Chemistry and the National Center for Computational 
Design and Discovery of Novel Materials (MARVEL), the Biozentrum (center 
for molecular life sciences) is across the street, and the Swiss Nano Science 
institute is in our building. We frequently interact with other local theory groups 
including the ones of Goedecker/Meuwly/Roth/Harbrecht/...
-fully funded with top salary
-Basel is a city university (oldest university in Switzerland) with international flair 
(bordering France and Germany) and a strong ex-pat community, due to Swiss 
Tropical Institute, Bank for International Affairs, big pharma companies, and arts 
-Basel is very well connected with its own airport serving many European cities, 
and direct high-speed trains to Paris, Berlin, or Milano.

for more details.
Send an e-mail with CV and list of references and motivation letter to 
Anatole von Lilienfeld: anatole.vonlilienfeld{}
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Please let your prospective employer know that you learned about the job from the Computational Chemistry List Job Listing at If you are not interested in this particular position yourself, pass it to someone who might be -- some day they may return the favor.
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