Deep learning and artificial intelligence for scientific research are evolving quickly, with new developments appearing continually for analyzing data sets, discovering patterns, and predicting behavior in all fields of science. The AI4Science Kickoff Workshop aims to bring junior and expert researchers together that share the interest in artificial intelligence developments for scientific discovery. Several invited speakers working on the forefronts of combining data science with e.g. systems biology, particle physics, molecular modeling, and astrophysics, will talk about intriguing scientific challenges and their latest developments to tackle them. We also take this moment to announce and celebrate the completion of this stage of the AI4Science Laboratory. Five PhD students that started their research projects in the last months will briefly highlight the current state-of-the-art and their future perspective on using AI in their respective scientific domains. The workshop will be an online event with help of video conferencing tools. Registered attendees will have the possibility to ask questions after the lectures, present a poster, and join the poster session and breakout rooms for further discussion.