The new WISE initiative of the Knut and Alice Wallenberg foundation for “Material Science for Sustainability” launched an introductory meeting on the 28th-30th of August. The conference, situated at Vildmarkshotel in an area of outstanding natural beauty east of Norrköping, provided a broad range of presentations, from science, industry and management. David Karis, senior project […]
Category Archives: Research
10
Sep
Sep
We’re excited to introduce Lena Aisch and Ida Rahu, our latest additions to the group. Lena recently joined us for her MSc thesis, focusing on interpretable machine learning for the detection of toxic chemicals in non-targeted LC/HRMS. Lena came to Sweden for the master’s programme in analytical chemistry at Stockholm University, and we are thrilled […]
04
Sep
Sep
Under the theme “A materially better future for everyone” the Acceleration Consortium hosted the Accelerate Conference 2023 in Toronto from 22nd to 25th of August. For me it was the first chance to meet people from the field of machine learning based material design in person after reading many papers over the last months. The […]
14
Aug
Aug
Non-targeted screening is helping us to discover the complex chemical space of environmental samples. Due to the large number of detected chemicals, prioritization is necessary to direct focus on chemicals posing a risk to biota and humans. Commonly, key information for risk assessment is the exposure to the respective chemical. Unfortunately, the detected signal intensity is poorly […]
04
Aug
Aug
Recently Amina Souihi in our group investigated the impact of mobile phase composition on the detection of various chemicals with non-target screening in wastewater. If you are using liquid chromatography (LC) coupled to mass spectrometry (MS) you have probably noticed that it is not equally easy to detect all chemicals. This arises from the fact […]
12
Apr
Apr
It is a shame that Drew first arrived in Sweden in January last year when the weather was awful – it was raining everything it could possibly rain and everyone was so busy discussing the weather conditions that they forgot to write a welcome post for Drew (it is important to note that Drew himself […]
06
Apr
Apr
We are happy to share that our team is growing even more! Two new students joined our group. Lucia is a Master’s student in chemistry and has joined our group as an intern for this semester. Together with Yvonne, they are using their non-artificial neural networks to develop an artificial neural network that could be […]
31
Mar
Mar
This month we were able to welcome our new post-doc Henrik to our group. Recently, Henrik successfully defended his PhD thesis about noncovalent interactions to construct supramolecular switches at Freie Universität Berlin. Here, his work will focus on the design of sustainable derivatization reagents for pesticide detection with LC/HRMS. A machine learning algorithm will be […]
25
Mar
Mar
On my third try, I was finally able to participate in Pittcon last week. This year Pittcon took place in person in Philadelphia, US. I was lucky enough to present our recent works in two presentations, one on quantitative nontarget screening (NTS) and the other on toxicity prediction for unidentified chemicals. You can find my […]
07
Mar
Mar
We have two new students doing their diploma work in our group: Gordian Sandberg and Yuki Ishikawa. Gordian started an eight-week internship in January and has recently decided to prolong his stay to turn his project into a MSc thesis. He is aiming to improve the prediction accuracy of retention times in non-target LC/HRMS using […]