TURBOMOLE: Modular program suite for ab initio quantum-chemical and condensed-matter simulations

TURBOMOLE is a collaborative, multi-national software development project aiming to provide highly efficient and stable computational tools for quantum chemical simulations of molecules, clusters, periodic systems, and solutions. The TURBOMOLE software suite is optimized for widely available, inexpensive, and resource-efficient hardware such as multi-core workstations and small computer clusters. TURBOMOLE specializes in electronic structure methods with outstanding accuracy-cost ratio, such as density functional theory including local hybrids and the random phase approximation (RPA), GW-Bethe-Salpeter methods, second-order Møller-Plesset theory, and explicitly correlated coupled-cluster methods. TURBOMOLE is…

• T
  TURBOMOLE

  Award: TG-205178
• NS
  National Science Foundation

  Awards: 1800431, CHE-1800431
• UD
  U.S. Department of Energy

  Award: DE-SC0018352
• AA
  Arnold and Mabel Beckman Foundation
• FD
  Fonds der Chemischen Industrie
• DA
  Deutscher Akademischer Austauschdienst

  Award: 57438025
• DF
  Deutsche Forschungsgemeinschaft

  Awards: EXC 2033 - 390677874, 390677874, 398816777, PE 2506/2-1, EXC 2033 -390677874, HA 2588/5, CRC 1375 (project number 398816777, SPP 1807, EXC 2033, HA 2588/10-1, HA 2588/8, project A04), KA1187/14-1, /14-1, CRC 1176, 2588/8-1, 2588/10-1, SPP 1807 (HA 2588/10-1), HA 2588/8-1
• SD
  Studienstiftung des Deutschen Volkes
• UO
  University of California, Irvine
• NI
  National Institute of General Medical Sciences

  Award: R15GM126524
• DO
  Division of Chemistry

  Award: CHE-1800431
• BE
  Basic Energy Sciences

  Award: DE-SC0018352