Chen Zhou
Xiamen University
26 Papers
42 Citations
Chen Zhou is an academic researcher from Xiamen University. The author has contributed to research in topics: Density functional theory & Valence bond theory. The author has an hindex of 7, co-authored 15 publications. Previous affiliations of Chen Zhou include University of Minnesota.
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Papers
The OpenMolcas Web: A Community-Driven Approach to Advancing Computational Chemistry.
Giovanni Li Manni,Ignacio Fdez. Galván,Ali Alavi,Flavia Aleotti,Francesco Aquilante,Jochen Autschbach,Davide Avagliano,Alberto Baiardi,Jie J. Bao,Stefano Battaglia,letitia Birnoschi,Alejandro Blanco-González,Sergey I. Bokarev,Ria Broer,R.S. Cacciari,Paul B. Calio,Rebecca K. Carlson,Luis Cerdán,Liviu F. Chibotaru,Nicholas F. Chilton,Jonathan Church,Irene Conti,Sonia Coriani,Nikesh S. Dattani,Piero Decleva,Coen de Graaf,Mickaël G. Delcey,Luca De Vico,Werner Dobrautz,Sijia S. Dong,Rulin Feng,Nicolas Ferré,Michael Filatov Gulak,Laura Gagliardi,Marco Garavelli,Leticia González,Yafu Guan,Meiyuan Guo,M. Hennefarth,Matthew R. Hermes,Chad E. Hoyer,Miquel Huix-Rotllant,Vishal K. Jaiswal,Danil S. Kaliakin,Marjan Khamesian,Daniel King,V. V. Mazalov E. A. Kochetov,M. Krośnicki,Ernst D. Larsson,Susi Lehtola,Marie-Bernadette Lepetit,Hans Lischka,Pablo López Ríos,Marcus Lundberg,Dong-xu Ma,Sebastian Mai,Philipp Marquetand,Isabella C D Merritt,F. Montorsi,Maximilian Mörchen,Artur Nenov,Vu Ha Anh Nguyen,Yoshio Nishimoto,Meagan S. Oakley,Massimo Olivucci,Markus Oppel,Daniele Padula,Riddhish Pandharkar,Quan Manh Phung,Felix Plasser,G. Raggi,Elisa Rebolini,Markus Reiher,Ivan Rivalta,Daniel Roca-Sanjuán,Arta Anushirwan Safari,A. Sánchez-Mansilla,Andrew M. Sand,Igor Schapiro,Thais R. Scott,Javier Segarra-Martí,Francesco Segatta,Dumitru-Claudiu Sergentu,Prachi Sharma,Ron Shepard,Yinan Shu,Jakob K. Staab,T. P. Straatsma,Lasse Kragh Sørensen,Bruno Nunes Cabral Tenorio,Donald G. Truhlar,Liviu Ungur,Morgane Vacher,Valera Veryazov,T. A. Voss,Oskar Weser,Dihua Wu,Xuchun Yang,David R. Yarkony,Chen Zhou,J. Patrick Zobel,Roland Lindh +101 more
TL;DR: OpenMolcas as discussed by the authors is an open-source chemistry software environment with a focus on novel functionalities accessible in the stable branch of the package or via interfaces with other packages.
126
Synthesis of Five-Membered Osmacycloallenes and Conversion into Six-Membered Osmacycloallenes
TL;DR: This paper aims to demonstrate the efforts towards in-situ applicability of EMMARM, as to provide real-time information about concrete mechanical properties such as E-modulus and compressive strength in the response of the immune system to EMTs.
21
Multiconfiguration Pair-Density Functional Theory Calculations of Iron(II) Porphyrin: Effects of Hybrid Pair-Density Functionals and Expanded RAS and DMRG Active Spaces on Spin-State Orderings.
TL;DR: In this paper , the effects of including nonlocal exchange in the energy calculation and of using a larger active space size on the calculated FeP spin-state ordering were investigated. And the results showed that increasing λ stabilizes the quintet relative to the triplets.
16
State-interaction pair density functional theory for locally avoided crossings of potential energy surfaces in methylamine
TL;DR: It is found that SI-PDFT predicts potential energy curves and energy splittings near the locally avoided crossing in close proximity to those obtained by XMS-CASPT2, which validates the method for application to photochemical simulations.
Multi-state pair-density functional theory
Jie J. Bao,Chen Zhou,Zoltan Varga,Siriluk Kanchanakungwankul,Laura Gagliardi,Donald G. Truhlar +5 more
TL;DR: In this paper, the authors proposed two new methods, called extended multi-state PDFT (XMS-PDFT) and variational-multi-statePDFT (VMS)-PDFT, that generate the intermediate states in a balanced way with a single set of orbitals.