Challenges and Advances in Large-scale DFT Calculations on GPUs using TeraChemCan Ozdoruk
Recent advances in reformulating electronic structure algorithms for stream processors such as graphical processing units have made DFT calculations on systems comprising up to O(10 to the 3) atoms feasible. Simulations on such systems that previously required half a week on traditional processors can now be completed in only half an hour. Listen to Professor Heather Kulik, Massachusetts Institute of Technology, as she discusses how she leverages these GPU-accelerated quantum chemistry methods in the code TeraChem to investigate large-scale quantum mechanical features in applications ranging from protein structure to mechanochemical depolymerization. In each case, large-scale and rapid evaluation of electronic structure properties is critical for unearthing previously poorly understood properties and mechanistic features of these systems. Professor Kulik also discusses outstanding challenges in the use of Gaussian localized-basis-set codes on GPUs pertaining to limitations in basis set size and how she circumvents such challenges to computational efficiency with systematic, physics-based error corrections to basis set incompleteness
Emergency Notification:
It is an emergency case to notify some important person or other concern person when we fall in any problem such as accident or attacked by criminal or any other incidence. On other hands it also needs to track victim location to help him from incidence.
Already some concept grows about emergency notification some people try to give solution. But they can’t think the whole scenario or their solution is not realistic or they use this concept to resolve other purpose.
To resolve this problem here I proposed an interactive, user friendly and more efficient solution by smartphone. I have given an idea about emergency notification system in Samsung phone, which can solve this.
Here I want to mention some common incidence and how our phone helps us in that incident. In our regular life we can fall into various incidents such as
- Accident
- Attacked by snatcher, criminal or terrorist
- Suddenly fall into sick (Heart attack, stroke or others) etc.
In the case of accident if victim fatally injured or there is any situation that, victim can’t get enough time to call or notify someone or group of people to help him. This situation can happen if anyone fall in sudden sick and he/she want to call his/her relatives to help him. But they cannot capable to talk. If anyone attacked by snatcher, criminal or terrorist, then it is emergency to informed police or other concern person. But it is impossible to inform police by call.
To overcome this problem I proposed a system which can notify concern person automatically if user fall any incident. There is also need to track the location of victims because the location of victims can be changed and it is emergency to know the latest location where victim exist otherwise it is difficult to find out the victim and help him.
Business Value:.
- This is more realistic feature and more users friendly and efficient.
- I hope this also minimize our life risk or our tension when we are out of home or away from family members or there’s.
Mr. Adityaram, Chairman and Managing Director of Adityaram Group of Companies having operations in multiple sectors including Real Estate, Infrastructure, Investments, Media, Entertainment and Hospitality.
Challenges and Advances in Large-scale DFT Calculations on GPUs using TeraChemCan Ozdoruk
Recent advances in reformulating electronic structure algorithms for stream processors such as graphical processing units have made DFT calculations on systems comprising up to O(10 to the 3) atoms feasible. Simulations on such systems that previously required half a week on traditional processors can now be completed in only half an hour. Listen to Professor Heather Kulik, Massachusetts Institute of Technology, as she discusses how she leverages these GPU-accelerated quantum chemistry methods in the code TeraChem to investigate large-scale quantum mechanical features in applications ranging from protein structure to mechanochemical depolymerization. In each case, large-scale and rapid evaluation of electronic structure properties is critical for unearthing previously poorly understood properties and mechanistic features of these systems. Professor Kulik also discusses outstanding challenges in the use of Gaussian localized-basis-set codes on GPUs pertaining to limitations in basis set size and how she circumvents such challenges to computational efficiency with systematic, physics-based error corrections to basis set incompleteness
Emergency Notification:
It is an emergency case to notify some important person or other concern person when we fall in any problem such as accident or attacked by criminal or any other incidence. On other hands it also needs to track victim location to help him from incidence.
Already some concept grows about emergency notification some people try to give solution. But they can’t think the whole scenario or their solution is not realistic or they use this concept to resolve other purpose.
To resolve this problem here I proposed an interactive, user friendly and more efficient solution by smartphone. I have given an idea about emergency notification system in Samsung phone, which can solve this.
Here I want to mention some common incidence and how our phone helps us in that incident. In our regular life we can fall into various incidents such as
- Accident
- Attacked by snatcher, criminal or terrorist
- Suddenly fall into sick (Heart attack, stroke or others) etc.
In the case of accident if victim fatally injured or there is any situation that, victim can’t get enough time to call or notify someone or group of people to help him. This situation can happen if anyone fall in sudden sick and he/she want to call his/her relatives to help him. But they cannot capable to talk. If anyone attacked by snatcher, criminal or terrorist, then it is emergency to informed police or other concern person. But it is impossible to inform police by call.
To overcome this problem I proposed a system which can notify concern person automatically if user fall any incident. There is also need to track the location of victims because the location of victims can be changed and it is emergency to know the latest location where victim exist otherwise it is difficult to find out the victim and help him.
Business Value:.
- This is more realistic feature and more users friendly and efficient.
- I hope this also minimize our life risk or our tension when we are out of home or away from family members or there’s.
Mr. Adityaram, Chairman and Managing Director of Adityaram Group of Companies having operations in multiple sectors including Real Estate, Infrastructure, Investments, Media, Entertainment and Hospitality.
For image optimization, reducing the quality doesn’t always lead to degradation of visual experience. In fact, precise adjustment of compression level and fine tuning of encoding settings can reduce significantly the file size without any noticeable degradation. But, there is no standard quality setting that works for all images - it depends on the compression algorithm, image format and content. And manually experimentation is not scalable.
In this webinar we cover how to find the best quality compression level and optimal encoding settings, in order to produce a perceptually fine image while minimizing the file size.
Here is an Infographic explaining why Responsive Design is a must for most organizations, entrepreneurs, and companies. Learn more about Responsive Design website development and the benefits of Responsive Design.
For image optimization, reducing the quality doesn’t always lead to degradation of visual experience. In fact, precise adjustment of compression level and fine tuning of encoding settings can reduce significantly the file size without any noticeable degradation. But, there is no standard quality setting that works for all images - it depends on the compression algorithm, image format and content. And manually experimentation is not scalable.
In this webinar we cover how to find the best quality compression level and optimal encoding settings, in order to produce a perceptually fine image while minimizing the file size.
Here is an Infographic explaining why Responsive Design is a must for most organizations, entrepreneurs, and companies. Learn more about Responsive Design website development and the benefits of Responsive Design.