Virtual Computational Chemistry Teaching Laboratories-Hands-On at a Distance

被引:17
作者
Kobayashi, Rika [1 ,2 ]
Goumans, Theodorus P. M. [1 ,2 ]
Carstensen, N. Ole [1 ,2 ]
Soini, Thomas M. [1 ,2 ]
Marzari, Nicola [1 ,2 ]
Timrov, Iurii [1 ,2 ]
Ponce, Samuel [1 ,2 ]
Linscott, Edward B. [1 ,2 ]
Sewell, Christopher J. [1 ,2 ]
Pizzi, Giovanni [1 ,2 ]
Ramirez, Francisco [1 ,2 ]
Bercx, Marnik [1 ,2 ]
Huber, Sebastiaan P. [1 ,2 ]
Adorf, Carl S. [1 ,2 ]
Talirz, Leopold [1 ,2 ]
机构
[1] Ecole Polytech Fed Lausanne, Theory & Simulat Mat THEOS, Fac Sci & Tech Ingenieur, CH-1015 Lausanne, Switzerland
[2] Ecole Polytech Fed Lausanne, Natl Ctr Computat Design & Discovery Novel Mat MA, CH-1015 Lausanne, Switzerland
基金
欧盟地平线“2020”; 瑞士国家科学基金会;
关键词
Distance Learning/Self Instruction; Computer-Based Learning; Hands-On Learning/Manipulatives; Collaborative/Cooperative Learning; Internet/Web-Based Learning; Physical Chemistry; Laboratory Instruction; Graduate Education/Research; First-Year Undergraduate/General; Upper-Division Undergraduate;
D O I
10.1021/acs.jchemed.1c00655
中图分类号
O6 [化学];
学科分类号
0703 ;
摘要
The COVID-19 pandemic disrupted chemistry teaching practices globally as many courses were forced online, necessitating adaptation to the digital platform. The biggest impact was to the practical component of the chemistry curriculum-the so-called wet lab. Naively, it would be thought that computer-based teaching laboratories would have little problem in making the move. However, this is not the case as there are many unrecognized differences between delivering computer-based teaching in-person and virtually: software issues, technology, and classroom management. Consequently, relatively few "hands-on" computational chemistry teaching laboratories are delivered online. In this paper, we describe these issues in more detail and how they can be addressed, drawing on our experience in delivering a third-year computational chemistry course as well as remote hands-on workshops for the Virtual Winter School on Computational Chemistry and the European BIG-MAP project.
引用
收藏
页码:3163 / 3171
页数:9
相关论文
共 24 条
[1]  
Dane J, 2020, ERA
[2]  
Dennington Roy, 2016, GAUSSVIEW
[3]  
Dixon C, 2020, ADVICE RESOURCES TRA
[4]   Production and Evaluation of a Realistic Immersive Virtual Reality Organic Chemistry Laboratory Experience: Infrared Spectroscopy [J].
Dunnagan, Cathi L. ;
Dannenberg, Devran A. ;
Cuales, Michael P. ;
Earnest, Arthur D. ;
Gurnsey, Richard M. ;
Gallardo-Williams, Maria T. .
JOURNAL OF CHEMICAL EDUCATION, 2020, 97 (01) :258-262
[5]  
Frisch M.J, GAUSSIAN 16 REV C 01
[6]   Advanced capabilities for materials modelling with QUANTUM ESPRESSO [J].
Giannozzi, P. ;
Andreussi, O. ;
Brumme, T. ;
Bunau, O. ;
Nardelli, M. Buongiorno ;
Calandra, M. ;
Car, R. ;
Cavazzoni, C. ;
Ceresoli, D. ;
Cococcioni, M. ;
Colonna, N. ;
Carnimeo, I. ;
Dal Corso, A. ;
de Gironcoli, S. ;
Delugas, P. ;
DiStasio, R. A., Jr. ;
Ferretti, A. ;
Floris, A. ;
Fratesi, G. ;
Fugallo, G. ;
Gebauer, R. ;
Gerstmann, U. ;
Giustino, F. ;
Gorni, T. ;
Jia, J. ;
Kawamura, M. ;
Ko, H-Y ;
Kokalj, A. ;
Kucukbenli, E. ;
Lazzeri, M. ;
Marsili, M. ;
Marzari, N. ;
Mauri, F. ;
Nguyen, N. L. ;
Nguyen, H-V ;
Otero-de-la-Roza, A. ;
Paulatto, L. ;
Ponce, S. ;
Rocca, D. ;
Sabatini, R. ;
Santra, B. ;
Schlipf, M. ;
Seitsonen, A. P. ;
Smogunov, A. ;
Timrov, I. ;
Thonhauser, T. ;
Umari, P. ;
Vast, N. ;
Wu, X. ;
Baroni, S. .
JOURNAL OF PHYSICS-CONDENSED MATTER, 2017, 29 (46)
[7]   QUANTUM ESPRESSO: a modular and open-source software project for quantum simulations of materials [J].
Giannozzi, Paolo ;
Baroni, Stefano ;
Bonini, Nicola ;
Calandra, Matteo ;
Car, Roberto ;
Cavazzoni, Carlo ;
Ceresoli, Davide ;
Chiarotti, Guido L. ;
Cococcioni, Matteo ;
Dabo, Ismaila ;
Dal Corso, Andrea ;
de Gironcoli, Stefano ;
Fabris, Stefano ;
Fratesi, Guido ;
Gebauer, Ralph ;
Gerstmann, Uwe ;
Gougoussis, Christos ;
Kokalj, Anton ;
Lazzeri, Michele ;
Martin-Samos, Layla ;
Marzari, Nicola ;
Mauri, Francesco ;
Mazzarello, Riccardo ;
Paolini, Stefano ;
Pasquarello, Alfredo ;
Paulatto, Lorenzo ;
Sbraccia, Carlo ;
Scandolo, Sandro ;
Sclauzero, Gabriele ;
Seitsonen, Ari P. ;
Smogunov, Alexander ;
Umari, Paolo ;
Wentzcovitch, Renata M. .
JOURNAL OF PHYSICS-CONDENSED MATTER, 2009, 21 (39)
[8]  
Grozema F., 2020, COMPUTATIONAL CHEM A
[9]  
HOLME TA, 2020, J CHEM EDUC, V97, P1226, DOI [10.1021/ACS.JCHEMED.0C00378, DOI 10.1021/acs.jchemed.0c00378, DOI 10.1021/ACS.JCHEMED.0C00378]
[10]   Introduction to the Journal of Chemical Education Special Issue on Insights Gained While Teaching Chemistry in the Time of COVID-19 [J].
Holme, Thomas A. .
JOURNAL OF CHEMICAL EDUCATION, 2020, 97 (09) :2375-2377