Quantum Chemistry
Nov 13, 2023
Optimize Energy Efficiency of Multi-Node VASP Simulations with NVIDIA Magnum IO
Computational energy efficiency has become a primary decision criterion for most supercomputing centers. Data centers, once built, are capped in terms of the...
17 MIN READ
Nov 09, 2021
NVIDIA Announces cuQuantum Beta Availability, Record Quantum Benchmark, and Quantum Container
Quantum computing (QC) will drive a new wave of advances across a myriad of industries and domains. Simulating quantum circuits on the current class of...
3 MIN READ
Apr 12, 2021
NVIDIA cuQuantum SDK Introduces Quantum Circuit Simulation Acceleration
Quantum computing has the potential to offer giant leaps in computational capabilities. Until it becomes a reality, scientists, developers, and researchers are...
2 MIN READ
Jul 30, 2015
Leveraging OpenACC to Compute High-Accuracy Molecular Energies
For this interview, I reached out to Janus Juul Eriksen, a Ph.D. fellow at Aarhus University in Denmark. Janus is a chemist by trade without any formal...
9 MIN READ
Jan 30, 2014
CUDA Spotlight: GPU-Accelerated Quantum Chemistry
This week's Spotlight is on Professor Todd Martínez of Stanford. Professor Martínez’ research lies in the area of theoretical chemistry, emphasizing the...
6 MIN READ