AENET- PIMD interface

[Nongnuch Artrith]

Dear AENET Users,

This is to let you know that an interface for AENET with the Path Integral MD code PIMD is now available.  PIMD also offers interfaces with various other codes such as Quantum Espresso, VASP, Gaussian, and many more.

This extension has been developed by Dr. Motoyuki Shiga's group at the Center for Computational Science and E-Systems, Japan Atomic Energy Agency.

For more information, please see: https://ccse.jaea.go.jp/software/PIMD/index.en.html

Thanks to Dr. Shiga’s group for supporting AENET.

Best,
Nong

Begin forwarded message:

From: Motoyuki Shiga <shiga.m...@jaea.go.jp>
Date: November 14, 2019 at 8:50:25 PM EST
To: shiga.m...@jaea.go.jp
Subject: PIMD version 2.3 released

Dear all,

We are happy to announce that PIMD version 2.3 has been released.

Please note that the url has been changed:

https://ccse.jaea.go.jp/software/PIMD/index.en.html

The new features of version 2.3 are mainly:

- Interface for AENET code to use/create artificial neural network potentials (with patches).
- Constant pressure/stress MD and path integral MD using Quantum Espresso code (with patches).
- Output files for SINDO code to perform quantum vibrational calculations.
- Some new methods for multidimensional free energy calculations (GAD, TASS).


All the best,
Motoyuki Shiga

--
Motoyuki Shiga, Dr.
Center for Computational Science and E-Systems
Japan Atomic Energy Agency
148-4 Kashiwanoha Campus, 178-4 Wakashiba
Kashiwa, Chiba, 277-0871, Japan
tel: +81-80-4389-9679
email:shiga.m...@jaea.go.jp

志賀基之
日本原子力研究開発機構システム計算科学センター
〒277-0871 千葉県柏市若柴178-4 柏の葉キャンパス148街区4
東京大学柏の葉キャンパス駅前サテライト4階