Narasimhan presenting at ACOS Symposium 2019
Narasimhan presented his work entitled Automated screening of single atom catalysts for solar fuel conversion at the Applied Computational Sciences (ACOS) symposium 2019 at DIFFER.
October 30, 2019
Narasimhan presenting at ACOS Symposium 2019
Narasimhan presented his work entitled Automated screening of single atom catalysts for solar fuel conversion at the Applied Computational Sciences (ACOS) symposium 2019 at DIFFER.
October 30, 2019
Ilker presenting at ACOS Symposium 2019
Ilker presented his work entitled Virtual materials library generation and high-throughput screening for CO2 reduction catalysts at the Applied Computational Sciences (ACOS) symposium 2019 at DIFFER.
October 30, 2019
Abhishek and Elif presenting at ACOS Symposium 2019
Abhishek and Elif presented their work entitled BAT-DB: Design of a combinatorial library of electroactive compounds for redox flow batteries at the Applied Computational Sciences (ACOS) symposium 2019 at DIFFER.
October 30, 2019
Xuan presenting at ACOS Symposium 2019
Xuan presented her work entitled Computational screening on virtual library of organic carbonyl materials at the Applied Computational Sciences (ACOS) symposium 2019 at DIFFER.
October 30, 2019
Qi presenting at ACOS Symposium 2019
Qi presented his work entitled A multi-scale computational framework for electroactive materials discovery for redox flow batteries at the Applied Computational Sciences (ACOS) symposium 2019 at DIFFER.
October 30, 2019
Murat presenting at ACOS Symposium 2019
Murat presented his work entitled Discovering two-dimensional materials via artificial intelligence at the Applied Computational Sciences (ACOS) symposium 2019 at DIFFER.
October 30, 2019
Murat presenting at AI@TUE Symposium
Murat presented his work entitled Discovering two-dimensional materials via artificial intelligence at the Artificial Intelligence in Engineering Symposium at Eindhoven University of Technology.
September 27, 2019
KEROGREEN Symposium
KEROGREEN Symposium will solicit contributions in the development of new fuel synthesis techniques based on novel materials, both experimental and theoretical, leading to commercially attractive production routes. It will take place on 15 November 2019 at DIFFER and the deadline for abstracts is October 15th. More information on here.
September 27, 2019
Solar-2-Products Symposium
S2P Symposium will bring together the broad community working on converting solar energy to fuels and products. It will take place on 6 November 2019 at DIFFER in Eindhoven and the deadline for registration is October 22nd. More information on here.
August 30, 2019
ACOS Symposium 2019
NWO, CCER and Shell are jointly organising the annual ACOS Symposium that brings together the Dutch research community of applied computational sciences. The symposium will take place at DIFFER on 30 October 2019 and the deadline for abstracts is September 20th. More information on here.
August 9, 2019
Publication in Nature Scientific Data
Our paper that describes the curation of aqueous solubility database is published on Nature Scientific Data. AqSolDB is the largest open-access aqueous solubility database consists of 9,982 unique compounds curated from 9 publicly available datasets. With an openly accessible, machine-readable, and well-structured format, AqSolDB will serve a broad community as a reference aqueous solubility dataset for the bench-marking of new experimental, physics-based, and machine learning modeling. Browse AqSolDB!
June 11, 2019
Graduation Shivani Ramhit
We are pleased to announce the graduation of Shivani Ramhit from AMD Group. The title of her thesis is A data-driven approach for the prediction of electronic energy levels of 2D metarials.
May 3, 2019
[AMD]’s new members
AMD group is very happy to welcome young and dynamic interns August Ammerlaan, Koen Pons and Menno Heijnen from University of Utrecht. They will be working on data mining for reaction energetics in the filed of heterogeneous catalysis.
March 20, 2019
[AMD] website goes live
We have published our brand new website. Stay tuned and get in touch!