TLDR;
This YouTube video features a webinar on the introduction to chemical computation, focusing on molecular simulations. The speaker, Lukman Hakim, discusses the role of computation in understanding molecular behavior and its applications in material design and other scientific fields. The webinar aims to bridge the gap between theoretical knowledge and practical applications, encouraging students to explore computational chemistry.
- Introduction to Chemical Computation
- Molecular Simulations
- Applications in Material Design
Introduction and Opening Remarks [0:00]
The webinar begins with opening remarks and prayers, expressing gratitude for the opportunity to gather and learn about chemical computation. The host acknowledges the presence of esteemed faculty members, including the head of the chemistry department, Ibu Rahmawati Ningsih, and other lecturers. The webinar is the first event organized by the chemistry department in the academic year 2021-2022, with hopes that it will inspire students to excel in their studies, even in a remote learning environment.
Quran Recitation [3:09]
A recitation from the Quran is performed by Harisma Muthmainnah, adding a spiritual dimension to the event and seeking blessings for its success.
Welcoming Speech by Head of Chemistry Department [12:30]
Ibu Rahmawati Ningsih, the head of the chemistry department, delivers a welcoming speech, expressing her gratitude to Bapak Lukman for sharing his expertise. She recalls meeting Bapak Lukman at a forum in 2014-2015 and acknowledges his expertise in chemical computation. She emphasizes the importance of introducing students to chemical computation due to its significant role in collaborating with other chemical fields. She hopes that Bapak Lukman will present the material in an accessible manner, avoiding complex computer language, to spark interest among students, especially those new to the field. She mentions that the best students have thesis in computational chemistry. She officially opens the webinar, seeking blessings from Allah.
Introduction of Speaker and Core Presentation [16:29]
Ibu Himmatul Baroroh introduces the speaker, Bapak Lukman Hakim, highlighting his extensive educational background, research experience, and numerous publications. She mentions his expertise in molecular simulations and requests that he provide examples of applications that are easy for undergraduate students to understand. She reads out his resume, noting his work in Quantum chemistry, development of kitosan-based resin, and study of water solutions. She also mentions his positions at Osaka University and Kyoto University in Japan, where he focused on battery research. His h-index is 9 on Scopus and 10 on the web.
The Essence of Science and Engineering [29:04]
Bapak Lukman begins his presentation by expressing gratitude for the invitation and sharing his personal background as a convert to Islam. He emphasizes the importance of integrating religious knowledge with worldly knowledge, drawing from the Quranic verse "Iqro" (read). He discusses the relationship between science and engineering, defining science as understanding and explaining natural phenomena, while engineering is manipulating these phenomena for human welfare. He uses the COVID-19 pandemic as an example, explaining that science seeks to understand the virus, while engineering develops vaccines and treatments.
Molecular Simulation: A Closer Look [52:29]
Bapak Lukman introduces the concept of molecular simulation, explaining that it is a method to mimic the behavior of molecules in a controlled environment. He emphasizes that the primary reason for conducting molecular simulations is that we cannot directly see or observe molecules in real-time. The goal is to understand the properties and behavior of a system by examining its molecular components. He uses the example of predicting the trajectory of a bird thrown with a slingshot, similar to what is learned in high school physics, to illustrate the concept of prediction based on scientific principles.
Applications and Examples of Molecular Simulation [1:07:48]
The presentation includes examples of molecular simulations, such as predicting the mixing behavior of methanol and ethanol in water. He explains that while experiments can easily determine if mixing occurs, simulations can provide insights into the speed and dynamics of the mixing process. He also touches on the importance of mathematics in simulations, dispelling the notion that chemistry students should avoid math.
Water Anomalies and Research [1:15:50]
Bapak Lukman discusses his research on water, highlighting the numerous anomalies associated with this seemingly simple substance. He mentions that the more we study water, the more anomalies we discover. He presents examples of research on water, such as explaining why ice freezes and melts, and the formation of amorphous ice under rapid cooling. He also discusses the prediction of ice structures within carbon nanotubes and the concept of "aero-ice," a low-density form of ice that could potentially float in air.
Hydrogen Storage and Battery Research [1:38:51]
The presentation shifts to hydrogen storage and battery research. Bapak Lukman explains the importance of hydrogen as a clean fuel and the challenges associated with its storage. He discusses the use of gas hydrates for hydrogen storage and presents simulation results showing the potential of these structures to store hydrogen. He also touches on his involvement in sodium battery research, highlighting the abundance of sodium as a key advantage over lithium.
Computational Research at Brawijaya University [1:48:53]
Bapak Lukman shares some of the computational research projects being conducted by students at Brawijaya University, including studies on benzene models, surface switching, hydrophobicity, hydrogen storage, and membrane separation.
Q&A Session - Essential Skills for Molecular Dynamics [1:52:29]
In the Q&A session, a student asks about the essential skills needed for molecular dynamics research. Bapak Lukman advises that a strong foundation in mathematics and programming is crucial, and the specific skills required will depend on the research direction.
Q&A Session - Data and Software for Simulations [1:57:04]
Another question concerns the data and software used for simulations. Bapak Lukman explains that simulations require detailed information about the molecules, including their positions, interactions, and the conditions under which they exist. He mentions various software packages used in the field, such as Gromacs and LAMMPS, but notes that researchers often need to develop their own analysis tools to address specific research questions.
Q&A Session - Predicting Reaction Times and Career Prospects [2:11:11]
A question is asked about predicting reaction times and the career prospects in computational chemistry. Bapak Lukman explains that predicting specific reaction times, such as the formation of dental plaque, can be challenging and may not have readily available software. He emphasizes that the trend in research is moving towards understanding molecular behavior at the microscopic level, and there will be an increasing demand for scientists with expertise in molecular simulations.
Closing and Prayer [2:23:01]
The webinar concludes with closing remarks, a prayer, and a group photo session. The host expresses gratitude to Bapak Lukman for sharing his knowledge and insights.
