The World Association of Theoretical and Computational Chemists (WATOC) aims to promote the field of theoretical and computational chemistry and to advance the interactions between scientists working in this field worldwide.

WATOC holds triennial Congresses to promote scientific exchange.

The WATOC 2028 congress will be held in Merida, Mexico on January 9-14, 2028, preceded by Young WATOC on 8th January and will be organised by Profs. Gabriel Merino and Annia Galano. The last congress WATOC 2025 and Young WATOC were held in Oslo from 21-27 June 2025 and were organised by Prof. Trygve Helgaker. WATOC2020 was held in Vancouver, Canada on July 3 - 8, 2022.

Current WATOC officers
President: Martin Head-Gordon
Vice-President: Peter R. Schreiner
Treasurer: T. Daniel Crawford
Auditor: Benedetta Mennucci
Communications Officer: Henry Rzepa

WATOC awards two types of medals to honor outstanding theoretical and computational chemists: the Schrödinger medal to senior scientists, and the Dirac medal to scientists under the age of 40.

Peter Schreiner won the 2025 Schrödinger Medal.
Giuseppe Barca won the 2025 Dirac Medal

Gustavo Scuseria won the 2024 Schrödinger Medal.
Alexander Sokolov won the 2024 Dirac Medal.

Jan Martin won the 2023 Schrödinger Medal.
Thomas Jagau won the 2023 Dirac Medal.

Frank Neese won the 2022 Schrödinger Medal.
Katharina Boguslawski won the 2022 Dirac Medal.

Yitzhak Apeloig won the 2021 Schrödinger Medal.
Edit Matyus won the 2021 Dirac Medal.

Martin Head-Gordon won the 2020 Schrödinger Medal.
Alexandre Tkatchenko won the 2020 Dirac Medal.