how to get started in computational chemistry ft. comp chemist (aka my mentor)
TLDRIn this engaging video, Megan's channel features an interview with Dr. Song, a senior scientist at Merck and a mentor in computational chemistry. Dr. Song shares his journey from studying computer science to finding his passion in chemistry, and his transition into computational chemistry during his PhD at UCLA. He provides an insightful analogy, likening computational chemists to detectives using technology to solve molecular mysteries. The discussion covers the applications of computational chemistry in various fields, the importance of quantum mechanics, and the interdisciplinary nature of the field. Dr. Song also offers valuable advice for those interested in the field, emphasizing the importance of programming, data organization, and communication skills. He highlights the potential of machine learning to revolutionize computational chemistry, and the video concludes with an invitation for viewers to apply for a computational chemistry research internship at Merck, using a humorous promo code in honor of Megan's channel.
Takeaways
- 🎉 The speaker has reached 1,000 subscribers on their YouTube channel, which they consider the best birthday present ever.
- 👩💼 The guest, Song, is a senior scientist at MERCK and was mentored at the university, initially studying computer science before switching to chemistry.
- 🔬 Song's journey into computational chemistry began after completing his PhD, finding interest in Professor Hogg's group and later joining MERCK.
- 📈 Song appreciates the YouTube channel for its dual purpose of documenting daily life and educating about science.
- 🤔 When asked about headaches from mentoring, Song reflects positively on the experience and focuses on self-improvement as a mentor.
- ❓ Song encourages asking questions and sees it as a sign of active engagement and learning.
- 🕵️♂️ Computational chemistry is likened to detective work, using computational methods to solve problems at a molecular level, akin to Sherlock Holmes.
- 🌡️ The informatics aspect of computational chemistry is compared to weather forecasting, dealing with large datasets to predict molecular behavior.
- 💊 Applications of computational chemistry are vast, ranging from drug discovery to understanding chemical reactions and predicting bioactivities.
- 📚 The foundation of computational chemistry includes quantum mechanics, molecular dynamics, statistical mechanics, and a strong understanding of chemical theories.
- 💻 For those interested in computational chemistry, starting with visualizing molecules and learning programming is advised, with an emphasis on data organization and clean results.
- 🌟 The future of computational chemistry is seen to involve more powerful uses and broader applications, potentially revolutionized by machine learning techniques.
Q & A
What was Song's undergraduate major?
-Song started his undergraduate major in computer science but later switched to chemistry, which he had enjoyed since middle school.
How did Song get into computational chemistry?
-Song got into computational chemistry during his PhD at UCLA. After two years of exploring his research interests, he joined Professor Hogg's group which was doing interesting work in the field.
What does Song think about Megan's YouTube channel?
-Song thinks Megan's channel is awesome. He appreciates how it serves as a way to document daily life and also educate people about science.
What does Song see as the biggest challenge in being Megan's mentor?
-Song's biggest challenge is figuring out how he can be a better mentor to Megan. He wants to ensure she gets a lot out of the summer project.
How does Song describe computational chemistry to someone unfamiliar with the field?
-Song uses the analogy of detectives like Sherlock Holmes. Computational chemists use computational technology and methods to solve problems at the molecular level, such as how one molecule interacts with another in a chemical reaction.
What are some applications of computational chemistry?
-Computational chemistry has a wide range of applications across different branches of chemistry. Some examples include structure-based drug discovery in medicinal chemistry, predicting bioactivities and toxicities in cheminformatics, and illustrating the mechanisms behind chemical reactions in organic chemistry.
What subjects are foundational for computational chemistry?
-Quantum mechanics is a key area, but other important subjects include molecular dynamics (classical mechanics), statistical mechanics, organic chemistry, and physical chemistry. Understanding the theories behind both chemistry and computation is crucial.
What advice does Song give for someone interested in getting into computational chemistry?
-Start by visualizing molecules using online software or open source packages. Join a research group if possible to gain hands-on experience. Learn programming as you go along. Keep your data and results well organized. Develop strong communication skills to collaborate with others. Focus on both hard skills (like programming) and soft skills (like communication).
How does Song view the future of computational chemistry?
-Song is optimistic that computational chemistry will become even more powerful and widely used, especially with the help of machine learning. He sees machine learning enabling faster, more accurate simulations and modeling, and aiding in tasks like drug and molecule design that traditionally required extensive expertise.
What opportunities does Song mention for those interested in computational chemistry?
-Song mentions that internship applications for a computational chemistry research internship at Merck for 2021 are open. He encourages interested viewers to apply and highlights the opportunity to work with great mentors.
What does Song say about the importance of asking questions?
-Song emphasizes that asking questions is a good thing and should always be done if one has them. It's important for learning and making progress in any field, including computational chemistry.
How does Song compare the modeling aspect of computational chemistry to Sherlock Holmes detective work?
-Song likens the modeling aspect to Sherlock Holmes detective work in that computational chemists use computational methods to solve problems at the molecular level, much like how detectives solve cases using clues and logic.
Outlines
🎉 Introduction and Personal Journey into Computational Chemistry
The first paragraph introduces the speaker, Song, who is a senior scientist at MERCK and a mentor in computational chemistry. Song shares his academic journey, starting with an undergraduate degree in computer science, then switching to chemistry, which he had enjoyed since middle school. He discusses his initial two years at UCLA as a Ph.D. student, exploring various research interests before joining Professor Hogg's group, which led him to computational chemistry. Song also talks about his current role and the impact of Megan's YouTube channel on science education and daily life documentation. The conversation touches on the challenges of mentoring and the importance of asking questions.
🔍 The Role of Computational Chemistry and its Applications
In the second paragraph, Song describes computational chemistry using the analogy of a detective, solving cases at a molecular level. He explains how computational chemists use technology to understand how molecules interact during chemical reactions. Song also discusses the informatics aspect, comparing it to weather forecasting, where data is gathered and translated into numeric representations to build predictive models. He outlines various applications of computational chemistry, such as structure-based drug discovery, predicting bioactivities, and illustrating chemical reaction mechanisms. Song emphasizes the importance of understanding the underlying theories in chemistry and physics for those interested in computational chemistry.
📚 Advice for Aspiring Computational Chemists and the Future of the Field
The third paragraph offers advice for those interested in computational chemistry. Song suggests starting with visualizing molecules using online software and open-source packages, and highlights the importance of joining a research group for hands-on experience. He stresses the importance of programming skills, data organization, and communication as essential for computational chemists. Song also talks about the future of computational chemistry, particularly the impact of machine learning in enhancing accuracy and efficiency in simulations and modeling. He encourages viewers to consider a research internship at Merck and ends the video with a positive message, inviting viewers to stay safe, healthy, and positive.
Mindmap
Keywords
💡Computational Chemistry
💡Mentorship
💡YouTube Channel
💡Subscribers
💡Undergraduate and PhD Studies
💡Molecular Dynamics (MD)
💡Quantum Mechanics
💡Cheminformatics
💡Drug Discovery
💡Machine Learning
💡Merck
Highlights
Megan's channel reaches 1,000 subscribers, which she considers the best birthday present.
Introduction of Song, a mentor at MERCK, with a background in computer science and chemistry.
Song's journey from undergraduate studies to computational chemistry and his role as a senior scientist at MERCK.
Positive feedback on Megan's YouTube channel as a blend of daily life recording and science education.
The challenges and rewards of mentoring, with an emphasis on continuous improvement.
An analogy comparing computational chemistry to detective work, solving cases at a molecular level.
The use of computational technology to model and visualize molecular structures and predict chemical reactions.
The informatics aspect of computational chemistry likened to weather forecasting, focusing on large numbers of molecules.
Applications of computational chemistry in various branches, including medicinal chemistry and organic chemistry.
The importance of understanding quantum mechanics and other foundational subjects for computational chemistry.
Advice for those interested in computational chemistry, emphasizing exploration and the intersection of computer science and chemistry.
Resources for learning computational chemistry, including online tools and open-source software packages.
The significance of programming skills, data cleanliness, and communication in the field of computational chemistry.
The potential for machine learning to transform computational chemistry by handling complex tasks and improving efficiency.
Opportunities for internships in computational chemistry research at MERCK and the benefits of such programs.
A call to action for viewers interested in computational chemistry to apply for internships and engage with the field.
The future of computational chemistry is in the hands of the next generation, with a focus on innovation and broadened applications.
The video concludes with a message of safety, health, and positivity, and an invitation to join Megan's channel for more insights.
Transcripts
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