International Workshop on Massively Parallel Programming for Quantum Chemistry and Physics (MPQCP 2026)
- Focus:
- MPQCP (2026) is the seventh in a series of annual international workshops that bring together researchers interested in employing advanced computational techniques to advance chemistry and physics with special emphasis on few and many-body quantum systems. Relevant topics include, but are not limited to, supercomputing, numerical representations and algorithms, advanced software development, applications of AI, quantum computing, physical applications, and new theoretical formulations and models. This year, we will focus on recent developments of programs and algorithms in quantum chemistry, condensed matter physics, and particle/nuclear physics. The main goals for this workshop are to build international collaborations and to share, through multidisciplinary discussions, experience and expertise with special focus on software and numerical techniques.
- SCA/HPCAsia 2026:
- This year's workshop will be held before the SCA/HPCAsia 2026. We encourage participants to enjoy both events.
- Committee:
-
- Hideo Sekino (Institute for Advanced Computational Science, IACS, Stony Brook Univ.)
- Robert Harrison (Stony Brook Univ.)
- Takahito Nakajima (RIKEN R-CCS)
- William Dawson (RIKEN R-CCS)
- Muneaki Kamiya (Gifu University)
- Organizers:
- RIKEN Center for Computational Science (Computational Molecular Science Reseach Team, Materials Science Application Interface Platform Development Unit).
- Support:
- FOCUS (Hyogo Prefecture, Kobe City) Project to Promote the Formation of a Research and Education Center (COE) in the Field of Computational Science. Stonybrook University.
- Date:
- January 19th - January 20th, 2026.
- Venue:
- RIKEN Center for Computational Science
- Hotels Nearby
- Kobe Portpia Hotel, Ariston Hotel Kobe
- Registration Fee:
- Free (payment may be required from general participants for the poster session refreshments)
- Registration Deadline:
- January 13th (Friday).
- Entrance Security Requirements:
- For foreign participants, please bring your passport or residence card. Domestic participants should bring a business card or student ID.
Program
January 19th
| Time | Speaker |
|---|---|
| 9:00 - 9:40 | Registration Opens |
| 9:40 - 10:00 | Welcome and Logistics |
| 10:00 - 10:30 | Kosuke Nakano (National Institute for Materials Science) jQMC: A new ab-initio Quantum Monte Carlo package leveraging the JAX ecosystem |
| 10:35 - 11:05 | Kota Ido (University of Tokyo) HΦ: An exact diagonalization package for a wide range of quantum lattice models. |
| 11:10 - 11:40 | Yoshio Nishimoto (Kyoto University) Analytic Derivatives of Multireference Methods in OpenMolcas |
| 11:45 - 13:00 | Lunch Break (Discussions on how to use FugakuNEXT to accelerate Quantum Computing research) |
| 13:00 - 13:45 | Keynote: Vikram Gavini (University of Michigan) Towards large-scale quantum accuracy materials simulations |
| 13:50 - 14:20 | Masanori Tachikawa (Yokohama City University) Excess proton/deuteron in light/heavy water solvent using path integral molecular dynamics simulation |
| 14:25 - 14:55 | Li Shengzhou (National Institute for Materials Science) Investigation on nanoscale metallic nanoparticles by large-scale DFT code CONQUEST |
| 15:00 - 15:30 | Break |
| 15:35 - 16:05 | Taka Misawa (University of Tokyo) Exploring Utilization of Generative AI for Research and Education in Computational Materials Science |
| 16:10 - 16:40 | Masato Sumita (RIKEN Center for Advanced Intelligence Project) Generative AI & Quantum Chemical Calculation |
| 16:40 - 17:00 | Break |
| 17:00 - 17:25 | Rei Oshima (Waseda University) Optimization of Unitary Matrices for Quantum Chemistry via Givens Rotations and Error Backpropagation |
| 17:30 - 18:00 | Yifan Ke (Keio University) Unified Machine-Learning-Enhanced Frameworks for Large-Scale Electronic Structure and Emergent Correlated States in Quantum Materials |
| 18:10 - | Poster Session |
January 20th
| Time | Speaker |
|---|---|
| 9:00 - 9:40 | Registration Opens |
| 9:40 - 10:00 | Logistics and Discussion |
| 10:00 - 10:30 | Yuki Uchino (RIKEN R-CCS) Fast Emulation of Single- and Double-Precision Matrix Multiplication |
| 10:30 - 10:50 | Break |
| 10:50 - 11:20 | Takao Kotani (Tottori University) Quasiparticle self-consistent GW method: Automatic calculation and Spin fluctuations |
| 11:25 - 11:55 | Masao Obata (Kanazawa University) Multi‑GPU acceleration of quasi‑particle self‑consistent GW calculations: Application to Type‑II InAs/GaSb superlattices |
| 11:55 - 13:00 | Lunch Break (Discussions on how to use FugakuNEXT to accelerate Quantum Computing research) |
| 13:00 - 13:45 | Keynote: Luca Frediani (The Arctic University of Norway) VAMPyR: combining code prototyping with frontier research in electronic structure theory |
| 13:50 - 14:20 | Youhei Yamaji (National Institute for Materials Science) Numerical spectroscopy for cuprate superconductors |
| 14:25 - 14:55 | Joseph Schuchart (Stony Brook University) Accelerating Multi-Resolution Analysis Using Distributed Data-Flow |
| 15:00 - 15:30 | Break |
| 15:35 - 16:05 | Ravi Kumar (Kindai University) |
| 16:10 - 16:40 | Enhua Xu (RIKEN R-CCS) |
| 16:45 - 17:15 | Nobuyuki Yoshioka (University of Tokyo) |
| 17:20 - 17:30 | Discussion and Wrap Up |
Registration
To register, please fill out the Google Form.
Contact
e-mail: nakajima [at] riken [dot] jp